OpenMolDB

2-ethyl-1-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.41				SF_C1130	None		Not checked

SMILES: CCC(CC)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[2-ethyl-1-butanol]	2.71		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

2-furoic hydrazide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
126.11	3	2	0.97				SF_C935	None		Not checked

SMILES: NNC(=O)c1occc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-furoic hydrazide]	2.96	1.63		25.0	Electrospray Mass Spectrometry	Yannis L. Loukas 2003

2-heptanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.20	1	1	1.95				VR_C143	None		Not checked

SMILES: CCCCCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-heptanol]	2.85	0.95		25.0	Surface tension	Yoshihiro Saito 2000

2-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				VR_C135	None		Not checked

SMILES: CCCCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-hexanol]	2.61	0.95		25.0	Surface tension	Yoshihiro Saito 2000

2-hexyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				JN_225	None		Not checked

SMILES: CCCCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-hexyl alcohol]	1.98			25.0	spectrophotometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2-hexyl alcohol]	1.88	0.90	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996

2-hydroxy-N-(5-methyl-3-isoxazolyl)-1,4-naphtoquinone-4-imine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_58	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2-hydroxy-N-(5-methyl-3-isoxazolyl)-1,4-naphtoquinone-4-imine]	2.60	1.08		25.0	UV spectroscopy	Marcela Longhi 1997

2-hydroxy-N-(5-methyl-3-isoxazolyl)-1,4-naphtoquinone-4-imine anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_59	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2-hydroxy-N-(5-methyl-3-isoxazolyl)-1,4-naphtoquinone-4-imine anion]	2.05	0.95		25.0	UV spectroscopy	Marcela Longhi 1997

2-hydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
137.11	2	1	-0.24				SF_C859	None		Not checked

SMILES: Oc1ccccc1C([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-hydroxybenzoate]	2.48	1.58	7.0	25.0	Affinity capillary electrophoresis	Oliver Steinbock 2001

2-hydroxydibenzofuran

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.19	1	1	3.29				SF_C610	None		Not checked

SMILES: Oc1ccc2oc3ccccc3c2c1

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[BCD polymer](1).[2-hydroxydibenzofuran]	3.92	2.48	25.0	Fluorescence anisotropy titrations	Gustavo González-Gaitano 2005
[BCD polymer H](1).[2-hydroxydibenzofuran]	4.11	2.90	25.0	Fluorescence anisotropy titrations	Gustavo González-Gaitano 2005
[b-Cyclodextrin](1).[2-hydroxydibenzofuran]	3.47	1.60	25.0	Fluorescence anisotropy titrations	Gustavo González-Gaitano 2005

2-hydroxyl-5-methoxyacetophone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C677	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-hydroxyl-5-methoxyacetophone]	2.82		7.0	25.0	isothermal titration calorimetry	De-Zhi Sun 2006
[b-Cyclodextrin](2).[2-hydroxyl-5-methoxyacetophone]	6.61		7.0	25.0	isothermal titration calorimetry	De-Zhi Sun 2006

2-methoxy etylalcohol (MeOCH2CH2OH)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_231	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-methoxy etylalcohol (MeOCH2CH2OH)]	0.22			25.0	spectrophotometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2-methoxy etylalcohol (MeOCH2CH2OH)]	-0.08	-1.40	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996

2-methyl benzoate ion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
135.14	1	0	0.36				JN_346	None		Not checked

SMILES: O=C([O-])C1=CC=CC=C1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-methyl benzoate ion]	1.11			25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[2-methyl benzoate ion]	1.11			25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[2-methyl benzoate ion]	1.12	0.30	7.0	25.0	capillary electrophoresis(DAD)	Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[2-methyl benzoate ion]	0.78			25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[2-methyl benzoate ion]	0.78			25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[2-methyl benzoate ion]	0.78			25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[2-methyl benzoate ion]	0.85			25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[2-methyl benzoate ion]	0.70			25.0	capillary electrophoresis	Wolfgang Zimmermann 1998
[g-Cyclodextrin](1).[2-methyl benzoate ion]	0.85			25.0	capillary electrophoresis	Wolfgang Zimmermann 1998

2-methyl-2-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.17				SF_C1128	None		Not checked

SMILES: CCC(C)(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[2-methyl-2-butanol]	2.31		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

2-methyl-2-heptanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
130.23	1	1	2.34				SF_C1140	None		Not checked

SMILES: CCCCCC(C)(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[2-methyl-2-heptanol]	2.80		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

2-methyl-2-pentanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.17	1	1	1.56				VR_C137	None		Not checked

SMILES: CCCC(C)(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-methyl-2-pentanol]	2.39	0.70		25.0	Surface tension	Yoshihiro Saito 2000