OpenMolDB

mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0211	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[L-tryptophan]	2.24	0.04	7.2	25.0	Calorimetry	Yu Liu 1998
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[n-butanol]	1.75		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[n-pentanol]	1.05		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[n-hexanol]	1.67		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[n-heptanol]	3.50		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[cyclopentanol]	2.09		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-[(p-tolyl)seleno]-6-deoxy)-b-cyclodextrin](1).[cyclohexanol]	1.40		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998

mono-[6-[[(9-fluorenylamino)ethyl]amino]-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0204	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-[[(9-fluorenylamino)ethyl]amino]-6-deoxy]-b-cyclodextrin](1).[Disodium 2,7-naphthalenedisulfonate]	2.64	0.04	7.2	25.0	Calorimetry	Yu Liu 1998
[mono-[6-[[(9-fluorenylamino)ethyl]amino]-6-deoxy]-b-cyclodextrin](1).[sodium 2-naphthalenesulfonate]	2.53	0.07	7.2	25.0	Calorimetry	Yu Liu 1998

mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0235	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.59		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.58		7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.57		7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.57		7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.56		7.2	45.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.49		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.58		7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.63		7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.66		7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.68		7.2	45.0	Fluorescence spectroscopy	Yu Liu 2002

mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0236	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.58		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.57		7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.56		7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.55		7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.54		7.2	45.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.48		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.54		7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.60		7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.66		7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.69		7.2	45.0	Fluorescence spectroscopy	Yu Liu 2002

mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0237	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.61		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.59		7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.58		7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.57		7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.56		7.2	50.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.50		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.59		7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.62		7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.66		7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002

mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0238	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.62		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.61		7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.60		7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.59		7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[acridine red]	0.58		7.2	45.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.52		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.56		7.2	30.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.61		7.2	35.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.63		7.2	40.0	Fluorescence spectroscopy	Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B]	0.66		7.2	45.0	Fluorescence spectroscopy	Yu Liu 2002

mono-[6-[[(furfurylideneamino)ethyl]amino]-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0207	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-[[(furfurylideneamino)ethyl]amino]-6-deoxy]-b-cyclodextrin](1).[sodium 2-naphthalenesulfonate]	2.14	0.04	7.2	25.0	Calorimetry	Yu Liu 1998

mono-[6-[[[[(9-fluorenylamino)ethyl]amino]ethyl]amino]-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0205	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-[[[[(9-fluorenylamino)ethyl]amino]ethyl]amino]-6-deoxy]-b-cyclodextrin](1).[Disodium 2,7-naphthalenedisulfonate]	2.69	0.08	7.2	25.0	Calorimetry	Yu Liu 1998
[mono-[6-[[[[(9-fluorenylamino)ethyl]amino]ethyl]amino]-6-deoxy]-b-cyclodextrin](1).[sodium 2-naphthalenesulfonate]	3.61	0.08	7.2	25.0	Calorimetry	Yu Liu 1998

mono-glucose-branched CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0078	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-glucose-branched CD](1).[doxorubicin]	5.34				Surface plasmon resonance	Takashi Yamanoi 2005

mono-substitued benzene, C2H

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_85	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, C2H]	1.94	1.63		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, C2H]	2.36	1.11		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998

mono-substitued benzene, CH2Cl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_90	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, CH2Cl]	2.31	1.04		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, CH2Cl]	2.45	1.00		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998

mono-substitued benzene, CH2OH

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_89	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, CH2OH]	1.98	0.63		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, CH2OH]	2.16	0.78		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998

mono-substitued benzene, CHO

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_91	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, CHO]	2.01	0.60		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, CHO]	2.18	0.85		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998

mono-substitued benzene, COCH3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_92	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, COCH3]	2.15	0.78		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, COCH3]	2.27	0.90		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998

mono-substitued benzene, COOC2H5

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_94	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[mono-substitued benzene, COOC2H5]	2.56	1.11		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[mono-substitued benzene, COOC2H5]	2.73	1.20		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998