OpenMolDB

mono-6-O-(2-naphthyl)-BCD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0284	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-6-O-(2-naphthyl)-BCD](1).[C1C7V2+]	3.08			25.0	fluorescence spectroscopy	Joon Woo Park 2003
[mono-6-O-(2-naphthyl)-BCD](1).[methyloctyl viologen]	3.40			25.0	fluorescence spectroscopy	Joon Woo Park 2003
[mono-6-O-(2-naphthyl)-BCD](1).[C1C10V2+]	4.29			25.0	fluorescence spectroscopy	Joon Woo Park 2003
[mono-6-O-(2-naphthyl)-BCD](1).[C1C12V2+]	4.72			25.0	fluorescence spectroscopy	Joon Woo Park 2003

mono-6-O-(2-sulfonato-6-naphthyl)-BCD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0285	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-6-O-(2-sulfonato-6-naphthyl)-BCD](1).[C1C7V2+]	3.23			25.0	fluorescence spectroscopy	Joon Woo Park 2003
[mono-6-O-(2-sulfonato-6-naphthyl)-BCD](1).[methyloctyl viologen]	3.67			25.0	fluorescence spectroscopy	Joon Woo Park 2003
[mono-6-O-(2-sulfonato-6-naphthyl)-BCD](1).[methyloctyl viologen]	1.41				circular dichroism	Joon Woo Park 2003
[mono-6-O-(2-sulfonato-6-naphthyl)-BCD](1).[C1C10V2+]	4.52			25.0	fluorescence spectroscopy	Joon Woo Park 2003
[mono-6-O-(2-sulfonato-6-naphthyl)-BCD](1).[mono-6-O-(2-sulfonato-6-naphthyl)-BCD]	3.99			25.0	NMR spectroscopy, circular dichroism	Joon Woo Park 2003

mono-6-O-(2-sulfonato-6-naphthyl)-BCD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					CD_000	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-6-O-(2-sulfonato-6-naphthyl)-BCD](1).[mono-6-O-(2-sulfonato-6-naphthyl)-BCD]	3.99			25.0	NMR spectroscopy, circular dichroism	Joon Woo Park 2003

mono-6-O-m-nitrobenzoyl-β-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0021	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-6-O-m-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivatives containing adamantanamine binding moiety]	0.36		7.0	25.0	Fluorescence spectroscopy	Qing Xiang GUO 2006
[mono-6-O-m-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivative 4]	3.78			25.0	time-resolved fluorescence spectroscopy; NMR	Qing-Xiang Guo 2002
[mono-6-O-m-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivative 5]	3.10			25.0	time-resolved fluorescence spectroscopy; NMR	Qing-Xiang Guo 2002
[mono-6-O-m-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivative 6]	3.48			25.0	time-resolved fluorescence spectroscopy; NMR	Qing-Xiang Guo 2002
[mono-6-O-m-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivative 7]	3.53			25.0	time-resolved fluorescence spectroscopy; NMR	Qing-Xiang Guo 2002

mono-6-O-p-nitrobenzoyl-β-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0022	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-6-O-p-nitrobenzoyl-β-cyclodextrin](1).[naphthalene derivatives containing adamantanamine binding moiety]	-0.24		7.0	25.0	Fluorescence spectroscopy	Qing Xiang GUO 2006

mono-NH3+-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0079	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-NH3+-b-CD](1).[R-36-T3]	1.74	0.85				George W. Gokel 2003
[mono-NH3+-b-CD](1).[S-36-T3]	1.83	0.90				George W. Gokel 2003
[mono-NH3+-b-CD](1).[R-37-T3]	1.81	0.78				George W. Gokel 2003
[mono-NH3+-b-CD](1).[S-37-T3]	2.00	0.60				George W. Gokel 2003
[mono-NH3+-b-CD](1).[R-38-T3]	1.70	0.48				George W. Gokel 2003
[mono-NH3+-b-CD](1).[S-38-T3]	1.76	0.60				George W. Gokel 2003
[mono-NH3+-b-CD](1).[R-4-T3]	2.23	0.48				George W. Gokel 2003
[mono-NH3+-b-CD](1).[S-4-T3]	2.21	0.48				George W. Gokel 2003
[mono-NH3+-b-CD](1).[R-46-T3]	2.21	0.30				George W. Gokel 2003
[mono-NH3+-b-CD](1).[S-46-T3]	2.21	0.30				George W. Gokel 2003
[mono-NH3+-b-CD](1).[R-12-T7]	3.00					George W. Gokel 2003
[mono-NH3+-b-CD](1).[S-12-T7]	3.54					George W. Gokel 2003
[mono-NH3+-b-CD](1).[R-13-T7]	2.62					George W. Gokel 2003
[mono-NH3+-b-CD](1).[S-13-T7]	2.33					George W. Gokel 2003

mono-NMe3+-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0080	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-NMe3+-b-CD](1).[R-41-T3]	2.06	0.48				George W. Gokel 2003
[mono-NMe3+-b-CD](1).[S-41-T3]	2.08	0.60				George W. Gokel 2003
[mono-NMe3+-b-CD](1).[R-47-T3]	2.05	0.60				George W. Gokel 2003
[mono-NMe3+-b-CD](1).[S-47-T3]	2.05	0.48				George W. Gokel 2003

mono-[6-(m-picolinyl)-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0199	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-(m-picolinyl)-6-deoxy]-b-cyclodextrin](1).[Disodium 2,7-naphthalenedisulfonate]	3.68	0.03	7.2	25.0	Calorimetry	Yu Liu 1998
[mono-[6-(m-picolinyl)-6-deoxy]-b-cyclodextrin](1).[sodium 2-naphthalenesulfonate]	2.78	0.01	7.2	25.0	Calorimetry	Yu Liu 1998

mono-[6-(m-toluidino)-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0202	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-(m-toluidino)-6-deoxy]-b-cyclodextrin](1).[Disodium 2,7-naphthalenedisulfonate]	2.42	0.11	7.2	25.0	Calorimetry	Yu Liu 1998
[mono-[6-(m-toluidino)-6-deoxy]-b-cyclodextrin](1).[sodium 2-naphthalenesulfonate]	2.56	0.01	7.2	25.0	Calorimetry	Yu Liu 1998

mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0231	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[L-Alanine]	2.83		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[D-Alanine]	3.31		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[L-Serine]	2.50		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[D-Serine]	3.38		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[L-Valine]	3.44		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[D-Valine]	2.89		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[L-Leucine]	4.19		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[D-Leucine]	2.67		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997

mono-[6-(o-chloroanilino)-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0206	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-(o-chloroanilino)-6-deoxy]-b-cyclodextrin](1).[sodium 2-naphthalenesulfonate]	3.51	0.08	7.2	25.0	Calorimetry	Yu Liu 1998

mono-[6-(p-picolinyl)-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0200	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-(p-picolinyl)-6-deoxy]-b-cyclodextrin](1).[Disodium 2,7-naphthalenedisulfonate]	3.86	0.06	7.2	25.0	Calorimetry	Yu Liu 1998
[mono-[6-(p-picolinyl)-6-deoxy]-b-cyclodextrin](1).[sodium 2-naphthalenesulfonate]	2.84	0.01	7.2	25.0	Calorimetry	Yu Liu 1998

mono-[6-(phenylseleno)-6-deoxy]-BCD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0282	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[n-propanol]	2.28		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[n-butanol]	2.01		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[n-pentanol]	1.64		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[n-hexanol]	1.55		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[n-heptanol]	2.55		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[cyclopentanol]	2.04		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998
[mono-[6-(phenylseleno)-6-deoxy]-BCD](1).[cyclohexanol]	0.40		7.2	25.0	UV-vis spectroscopy	Yu Liu 1998

mono-[6-O-(8-quinolyl)]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0203	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-O-(8-quinolyl)]-b-cyclodextrin](1).[Disodium 2,7-naphthalenedisulfonate]	2.54	0.05	7.2	25.0	Calorimetry	Yu Liu 1998
[mono-[6-O-(8-quinolyl)]-b-cyclodextrin](1).[sodium 2-naphthalenesulfonate]	2.58	0.06	7.2	25.0	Calorimetry	Yu Liu 1998

mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0234	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin](1).[L-Alanine]	2.85		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin](1).[D-Alanine]	3.02		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin](1).[L-Serine]	2.51		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin](1).[D-Serine]	3.31		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin](1).[L-Valine]	2.82		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin](1).[D-Valine]	2.80		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997