OpenMolDB

(-)-menthol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.27	1	1	2.44				NT_a0030	None		Not checked

SMILES: CC(C)C1CCC(C)CC1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(-)-menthol]	2.96		8.3	25.0	Absorption spectroscopy	Ueno, Akihiko 1997

(-)-menthol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.27	1	1	2.44				NT_b0159	None		Not checked

SMILES: CC(C)C1CCC(C)CC1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[L-Trp-b-CD](1).[(-)-menthol]	2.91		7.2	25.0	spectrofluorometric titration	Yu Liu 1999

(-)-menthol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.27	1	1	2.44				SF_C1027	None		Not checked

SMILES: CC(C)C1CCC(C)CC1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(p-metholxylphenylseleno)-6-deoxy]-b-cyclodextrin](1).[(-)-menthol ]	3.27		7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999
[mono[6-(ptolylseleno)-6-deoxy]-b-cyclodextrin](1).[(-)-menthol ]	2.97		7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999

(-)-menthol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.27	1	1	2.44				SF_C1142	None		Not checked

SMILES: CC(C)C1CCC(C)CC1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[(-)-menthol ]	3.55		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

(-)-menthone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	0	2.65				SF_C624	None		Not checked

SMILES: CC(C)[C@@H]1CC[C@@H](C)CC1=O

Supramolecules

Name	log K	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(-)-menthone]	0.64	60.0	Gas chromatography	Monika Asztemborska 2005
[a-Cyclodextrin](2).[(-)-menthone]	0.79	60.0	Gas chromatography	Monika Asztemborska 2005
[b-Cyclodextrin](1).[(-)-menthone]	0.93	60.0	Gas chromatography	Monika Asztemborska 2005

(1-[2-(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1507	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(1-[2-(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole]	3.42	2.41	7.0	25.0	UV-vis spectroscopy	P. Mura 2001
[a-Cyclodextrin](1).[(1-[2-(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole]	3.12		7.0	37.0	UV-vis spectroscopy	P. Mura 2001
[a-Cyclodextrin](1).[(1-[2-(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole]	2.79		7.0	45.0	UV-vis spectroscopy	P. Mura 2001
[a-Cyclodextrin](1).[(1-[2-(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole]	2.63	1.58		25.0	UV-vis spectroscopy	P. Mura 2001
[a-Cyclodextrin](1).[(1-[2-(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole]	2.37			37.0	UV-vis spectroscopy	P. Mura 2001
[a-Cyclodextrin](1).[(1-[2-(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole]	2.27			45.0	UV-vis spectroscopy	P. Mura 2001

(1S,2R)-2-amino-1,2-diphenylethanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
213.28	2	2	3.12				SF_C1034	None		Not checked

SMILES: N[C@@H]([C@@H](O)c1ccccc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(1S,2R)-2-amino-1,2-diphenylethanol ]	1.74	0.48	4.8	25.0	Microcalorimetry	Yoshihisa Inoue 2000

(1S,2S)-trans-1,2-cyclohexanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.16	2	2	0.28				SF_C1066	None		Not checked

SMILES: O[C@H]1CCCC[C@@H]1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(1S,2S)-trans-1,2-cyclohexanediol ]	1.93	0.30	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

(1S,2S,3R,5S)-pinanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
170.25	2	2	1.16				SF_C1104	None		Not checked

SMILES: C[C@]1([C@@H](CC2CC1C2(C)C)O)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(1S,2S,3R,5S)-pinanediol ]	3.81	2.08	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

(1S,2S,5S)-2-hydroxy-3-pinanone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
168.23	2	1	1.37				SF_C1080	None		Not checked

SMILES: CC1(C)[C@H]2C[C@@H]1[C@](C)(O)C(=O)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(1S,2S,5S)-2-hydroxy-3-pinanone ]	3.37	1.95	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

(1S,3R)-camphoric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
200.23	4	2	1.60				SF_C1058	None		Not checked

SMILES: CC1(C)[C@@H](CC[C@]1(C)C(O)=O)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(1S,3R)-camphoric acid]	1.28		6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

(2,3,7-triamino-6-phenil-pteridine)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
255.28	7	4	0.86				NT_a0018	None		Not checked

SMILES: NC1=C(C2=CC=CC=C2)NC3=CN(N)C(N)=NC3=N1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(2,3,7-triamino-6-phenil-pteridine)]	2.53			20.0	phase solubility	Arias, M. J. 1997
[b-Cyclodextrin](1).[(2,3,7-triamino-6-phenil-pteridine)]	2.67			20.0	spectral shift	Arias, M. J. 1997

(2-Hydroxy)ethylated-ß-Cyclodextrin (DS ~4)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					CY-2028.1	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[(2-Hydroxy)ethylated-ß-Cyclodextrin (DS ~4)](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione]	2.74		7.4	65.0	HPLC	Sayed M. Ahmed 1997
[(2-Hydroxy)ethylated-ß-Cyclodextrin (DS ~4)](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione]	3.33	2.33		30.0		Sayed M. Ahmed 1997
[(2-Hydroxy)ethylated-ß-Cyclodextrin (DS ~4)](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione]	3.28	2.24		37.0		Sayed M. Ahmed 1997
[(2-Hydroxy)ethylated-ß-Cyclodextrin (DS ~4)](1).[16-methylene-17a-acetoxy-19-nor-pregn-4-ene-3,20-dione]	2.99	1.68		45.0		Sayed M. Ahmed 1997

(2S,3S)-3-benzyloxy-1,2,4-butanetriol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
212.24	4	3	-0.08				SF_C1040	None		Not checked

SMILES: OC[C@H](O)[C@H](CO)OCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(2S,3S)-3-benzyloxy-1,2,4-butanetriol ]	1.92	0.30	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

(4-Bromo-1-naphthoyl)methyltrimethylammonium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
307.21	1	0	3.49				nt1033	None		Not checked

SMILES: C[N+](C)(C)CC(=O)c1ccc(Br)c2ccccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(4-Bromo-1-naphthoyl)methyltrimethylammonium]	2.85			25.0		Kenneth A. Connors 1995