OpenMolDB

mono-substitued benzene, COOCH3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_93	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, COOCH3]	2.33	1.00		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, COOCH3]	2.50	1.04		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998

mono-substitued benzene, H

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_82	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, H]	1.46	0.15		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[a-Cyclodextrin](1).[mono-substitued benzene, H]	1.50					Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, H]	2.29	0.95		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, H]	2.08	1.00		25.0		Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, H]	2.23	1.04				Qing-Xiang Guo 1998

mono-substitued benzene, N(CH3)2

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_99	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, N(CH3)2]	2.24	0.90		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, N(CH3)2]	2.40	1.00		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, N(CH3)2]	2.36	1.00				Qing-Xiang Guo 1998

mono-substitued benzene, NHC2H5

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_98	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, NHC2H5]	2.11	0.70		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, NHC2H5]	2.34	0.95		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998

mono-substitued benzene, NHCH3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_97	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, NHCH3]	1.92	0.40		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, NHCH3]	2.12	0.48		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, NHCH3]	1.68	0.38				Qing-Xiang Guo 1998

mono-substitued benzene, NHCOCH3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_100	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, NHCOCH3]	2.01	0.60		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, NHCOCH3]	2.20	0.78		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998

mono-substitued benzene, OC2H5

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_88	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, OC2H5]	2.23	0.90		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, OC2H5]	2.49	1.18		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, OC2H5]	2.46	1.18				Qing-Xiang Guo 1998

mono-substitued benzene, OCH3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_87	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, OCH3]	2.15	0.85		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, OCH3]	2.32	1.00		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998

mono[2-(p-methoxyphenylseleno)-2-deoxy]-β-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0072	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[2-(p-methoxyphenylseleno)-2-deoxy]-β-cyclodextrin](1).[L-alanin]	2.06		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono[2-(p-methoxyphenylseleno)-2-deoxy]-β-cyclodextrin](1).[D-alanin]	1.72		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono[2-(p-methoxyphenylseleno)-2-deoxy]-β-cyclodextrin](1).[L-serin]	2.43		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono[2-(p-methoxyphenylseleno)-2-deoxy]-β-cyclodextrin](1).[D-serin]	1.76		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono[2-(p-methoxyphenylseleno)-2-deoxy]-β-cyclodextrin](1).[L-leucin]	1.77		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono[2-(p-methoxyphenylseleno)-2-deoxy]-β-cyclodextrin](1).[D-leucin]	1.83		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono[2-(p-methoxyphenylseleno)-2-deoxy]-β-cyclodextrin](1).[L-valin]	1.85		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono[2-(p-methoxyphenylseleno)-2-deoxy]-β-cyclodextrin](1).[D-valin]	2.01		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003

mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0196	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-tryptophan]	2.39	0.05	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[Disodium 2,7-naphthalenedisulfonate]	2.56	0.07	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-alanine]	3.37		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[D-alanine]	3.19		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-valine]	3.56		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[D-valine]	3.33		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-isoleucine]	3.72		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-proline]	3.34		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-serine]	3.15		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[D-serine]	2.92		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-cysteine]	2.99		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-aspartic acid]	3.65		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-leucine]	3.60		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[D-leucine]	3.35		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[I -]	2.21			25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994

mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0197	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-tryptophan]	3.71	0.03	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[Sodium 3-hydroxy-2-naphthoate]	2.88	0.08	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[Disodium 2,7-naphthalenedisulfonate]	2.01	0.04	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[sodium 2-naphthalenesulfonate]	3.04	0.03	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-alanine]	3.14		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[D-alanine]	3.06		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-valine]	3.65		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[D-valine]	3.34		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-isoleucine]	3.90		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-proline]	3.08		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-serine]	3.07		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[D-serine]	2.82		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-cysteine]	2.43		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-aspartic acid]	3.61		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-leucine]	3.69		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[D-leucine]	3.46		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-lysine]	2.31		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-methionine]	2.52		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-glutamic acid]	2.88		7.2	25.0	Calorimetry	Yu Liu 1998

mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0198	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-tryptophan]	2.22	0.01	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[Disodium 2,7-naphthalenedisulfonate]	1.92	0.06	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-alanine]	3.03		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[D-alanine]	2.96		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-valine]	3.46		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-isoleucine]	3.65		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-proline]	3.06		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-serine]	3.00		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[D-serine]	2.77		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-cysteine]	2.69		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-aspartic acid]	3.58		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-leucine]	3.50		7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[D-leucine]	3.22		7.2	25.0	Calorimetry	Yu Liu 1998

mono[6-(2-aminoethyleneamino)-6-deoxy]-β-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0220	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(2-aminoethyleneamino)-6-deoxy]-β-cyclodextrin](1).[α-asarone]	2.95		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(2-aminoethyleneamino)-6-deoxy]-β-cyclodextrin](1).[ferulic acid]	3.20		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(2-aminoethyleneamino)-6-deoxy]-β-cyclodextrin](1).[magnolol]	4.33		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(2-aminoethyleneamino)-6-deoxy]-β-cyclodextrin](1).[honokiol]	3.75		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

mono[6-(5-amino-3-azapentylamino)-6-deoxy]-β-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0221	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(5-amino-3-azapentylamino)-6-deoxy]-β-cyclodextrin](1).[α-asarone]	2.88		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(5-amino-3-azapentylamino)-6-deoxy]-β-cyclodextrin](1).[ferulic acid]	2.55		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(5-amino-3-azapentylamino)-6-deoxy]-β-cyclodextrin](1).[magnolol]	2.80		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(5-amino-3-azapentylamino)-6-deoxy]-β-cyclodextrin](1).[honokiol]	3.41		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

mono[6-(9-anthrylformamido)diethylenediamino-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0229	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(9-anthrylformamido)diethylenediamino-6-deoxy]-b-cyclodextrin](1).[deoxycholate]	4.35	1.18	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004
[mono[6-(9-anthrylformamido)diethylenediamino-6-deoxy]-b-cyclodextrin](1).[cholate]	4.28	2.45	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004
[mono[6-(9-anthrylformamido)diethylenediamino-6-deoxy]-b-cyclodextrin](1).[glycocholate]	3.69	2.49	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004
[mono[6-(9-anthrylformamido)diethylenediamino-6-deoxy]-b-cyclodextrin](1).[taurocholate]	3.57	2.64	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004