OpenMolDB

mono[6-O-(ethoxyhydroxyphosphoryl)]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0243	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(ethoxyhydroxyphosphoryl)]-b-cyclodextrin](1).[N-Cbz-D-alanine ]	2.14	0.70	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003

mono[6-benzylseleno-6-deoxy]-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0239	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[1-butanol]	1.11	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[1-pentanol ]	1.57	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[1-hexanol]	1.61	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[cyclopentanol]	1.83	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[cyclohexanol]	2.14	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[cycloheptanol]	2.67	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[cyclooctanol ]	3.00	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2-butanol]	1.11	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[3-pentanol]	1.34	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2-methyl-2-butanol]	1.57	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[3,3-dimethyl-2-butanol]	2.19	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2-ethyl-1-butanol]	1.62	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[1-heptanol ]	2.16	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[4-heptanol]	1.91	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2,4-dimethyl-3-pentanol]	1.94	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[4-methylcyclohexanol]	2.61	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2,6-dimethylcyclohexanol]	2.48	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2,5-dimethyl-3-hexanol]	2.10	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2,2-dimethyl-3-hexanol]	1.61	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[4-methyl-4-heptanol]	2.33	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2-methyl-2-heptanol]	2.09	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[(+)-menthol ]	2.95	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[(-)-menthol ]	2.92	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[(+)-borneol ]	3.76	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[(-)-borneol ]	3.64	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[1-adamantanol]	3.89	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[geraniol]	2.93	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[nerol]	2.50	7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001

monoammonio-per-O-methyl-a-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0320	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[monoammonio-per-O-methyl-a-cyclodextrin](1).[benzyl alcohol]	1.96	1.03	7.0	30.0	UV-vis spectroscopy	Jeremy R. Knowles 1979
[monoammonio-per-O-methyl-a-cyclodextrin](1).[benzyl phosphate]	1.52	0.89	7.0	30.0	UV-vis spectroscopy	Jeremy R. Knowles 1979
[monoammonio-per-O-methyl-a-cyclodextrin](1).[2.4-dinitrophenol]	3.50	2.23	7.0	30.0	UV-vis spectroscopy	Jeremy R. Knowles 1979

monobutylurea

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.16	3	2	1.55				SF_C1779	None		Not checked

SMILES: CCCCNC(N)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[monobutylurea]	2.10		7.0	25.0	Calorimetry	Massimo Muscetta 1986

monoethylurea

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.11	3	2	0.77				SF_C1781	None		Not checked

SMILES: CCNC(N)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[monoethylurea]	0.45		7.0	25.0	Calorimetry	Massimo Muscetta 1986

monopropylurea

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.13	3	2	1.16				SF_C1780	None		Not checked

SMILES: CCCNC(N)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[monopropylurea]	1.11		7.0	25.0	Calorimetry	Massimo Muscetta 1986

mordant orange 1

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
287.23	6	2	2.11				SF_C747	None		Not checked

SMILES: OC(=O)C1=C/C(C=CC1=O)=N/Nc2ccc(cc2)[N+]([O-])=O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[mordant orange 1]	2.78	7.2	25.0	Circular dichroism spectroscopy	Yoshihisa Inoue 1999
[6,6'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)](1).[mordant orange 1]	3.69	7.2	25.0	Circular dichroism spectroscopy	Yoshihisa Inoue 1999
[2,2'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)](1).[mordant orange 1]	3.91	7.2	25.0	Circular dichroism spectroscopy	Yoshihisa Inoue 1999

morin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
302.24	6	5	1.99				SF_C1223	None		Not checked

SMILES: Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[morin]	2.52		7.0	25.0	UV-vis spectroscopy	S. Tommasini 2004
[a-Cyclodextrin](1).[morin]	1.69		7.0	25.0	UV-vis spectroscopy	S. Tommasini 2004

morpholine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
87.12	2	1	-0.07				JN_246	None		Not checked

SMILES: C1COCCN1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[morpholine]	1.25	0.29	11.6	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[b-Cyclodextrin](1).[morpholine]	1.23		11.6	25.0	indicator displacement method	Oswald S.Tee 1996

n-BuCO2-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1281	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-BuCO2-]	1.80	0.59	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993
[b-Cyclodextrin](1).[n-BuCO2-]	1.13	0.04	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993

n-BuSO3-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1272	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-BuSO3-]	1.66	0.32	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993
[b-Cyclodextrin](1).[n-BuSO3-]	1.05	-0.42	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993

n-Butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				SF_C428	None		Not checked

SMILES: CCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-Butanol]	1.22			25.0		Toshio Shinbo 2004

n-Butyl 4-hydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
194.23	3	1	2.35				nt1048	None		Not checked

SMILES: CCCCOC(=O)c1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-Butyl 4-hydroxybenzoate]	3.33			25.0		Kenneth A. Connors 1995

n-Butyl 4-hydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
194.23	3	1	2.35				nt1049	None		Not checked

SMILES: CCCCOC(=O)c1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

n-Butylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
73.14	1	1	1.45				nt1047	None		Not checked

SMILES: CCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-Butylamine]	0.48			25.0		Kenneth A. Connors 1995