OpenMolDB

(+)-borneol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	1	2.19				SF_C839	None		Not checked

SMILES: CC1(C)C2CCC1(C)C(O)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(+)-borneol ]	4.27	2.04	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-phenyl-b-CD](1).[(+)-borneol ]	4.55	3.07	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-formylphenyl)-b-CD](1).[(+)-borneol ]	4.61	3.14	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-nitrophenyl)-b-CD](1).[(+)-borneol ]	5.03	2.54	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-bromophenyl)-b-CD](1).[(+)-borneol ]	4.94	3.68	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-chlorophenyl)]-b-CD](1).[(+)-borneol ]	5.13	3.39	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-hydroxybenzoyl)-b-CD](1).[(+)-borneol ]	4.92	3.46	7.2	25.0	titration microcalorimetry	Yu Liu 2004

(+)-camphor

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.23	1	0	2.40				NT_a0031	None		Not checked

SMILES: CC1(C)C2CCC1(C)C(=O)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(+)-camphor]	2.66		8.3	25.0	Absorption spectroscopy	Ueno, Akihiko 1997

(+)-camphor

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.23	1	0	2.40				SF_C837	None		Not checked

SMILES: CC1(C)C2CCC1(C)C(=O)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(+)-camphor]	3.92	2.42	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-phenyl-b-CD](1).[(+)-camphor]	4.14	1.74	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-formylphenyl)-b-CD](1).[(+)-camphor]	4.09	2.69	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-nitrophenyl)-b-CD](1).[(+)-camphor]	4.53	2.27	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-bromophenyl)-b-CD](1).[(+)-camphor]	4.36	2.20	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-chlorophenyl)]-b-CD](1).[(+)-camphor]	4.70	2.69	7.2	25.0	titration microcalorimetry	Yu Liu 2004
[6-O-(4-hydroxybenzoyl)-b-CD](1).[(+)-camphor]	4.27	3.00	7.2	25.0	titration microcalorimetry	Yu Liu 2004

(+)-fenchone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.23	1	0	2.40				SF_C627	None		Not checked

SMILES: CC1(C)C2CCC(C)(C2)C1=O

Supramolecules

Name	log K	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(+)-fenchone]	1.53	60.0	Gas chromatography	Monika Asztemborska 2005
[a-Cyclodextrin](2).[(+)-fenchone]	1.00	60.0	Gas chromatography	Monika Asztemborska 2005
[b-Cyclodextrin](1).[(+)-fenchone]	1.08	60.0	Gas chromatography	Monika Asztemborska 2005
[b-Cyclodextrin](2).[(+)-fenchone]	1.64	60.0	Gas chromatography	Monika Asztemborska 2005

(+)-isomnethone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C625	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(+)-isomnethone]	0.81	60.0	Gas chromatography	Monika Asztemborska 2005
[a-Cyclodextrin](2).[(+)-isomnethone]	0.95	60.0	Gas chromatography	Monika Asztemborska 2005
[b-Cyclodextrin](1).[(+)-isomnethone]	0.84	60.0	Gas chromatography	Monika Asztemborska 2005
[b-Cyclodextrin](2).[(+)-isomnethone]	1.18	60.0	Gas chromatography	Monika Asztemborska 2005

(+)-limonene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.23	0	0	3.31				SF_C634	None		Not checked

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

Supramolecules

Name	log K	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(+)-limonene]	1.30	60.0	Gas chromatography	Monika Asztemborska 2005
[a-Cyclodextrin](2).[(+)-limonene]	1.20	60.0	Gas chromatography	Monika Asztemborska 2005
[b-Cyclodextrin](1).[(+)-limonene]	0.94	60.0	Gas chromatography	Monika Asztemborska 2005

(+)-menthol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.27	1	1	2.44				NT_a0029	None		Not checked

SMILES: CC(C)C1CCC(C)CC1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(+)-menthol]	3.00		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_b0158	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]	2.63		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_C1026	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 ]	3.09		7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999
[mono[6-(ptolylseleno)-6-deoxy]-b-cyclodextrin](1).[(+)-menthol ]	3.39		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_C1141	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 ]	3.70		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

(+)-menthone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	0	2.65				SF_C623	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]	0.58	60.0	Gas chromatography	Monika Asztemborska 2005
[a-Cyclodextrin](2).[(+)-menthone]	0.95	60.0	Gas chromatography	Monika Asztemborska 2005
[b-Cyclodextrin](1).[(+)-menthone]	0.93	60.0	Gas chromatography	Monika Asztemborska 2005

(+,-)-3-phenylbutyric acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
164.20	2	1	2.26				SF_C1116	None		Not checked

SMILES: CC(CC(O)=O)c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(+,-)-3-phenylbutyric acid ]	2.62	0.70	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

(+/-)-2-butanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
74.12	1	1	0.78				VR_C95	None		Not checked

SMILES: CCC(C)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(+/-)-2-butanol]	1.44	0.18	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994
[b-Cyclodextrin](1).[(+/-)-2-butanol]	1.11	0.60	6.9	25.0	Titration calorimetry	Robert N. Goldberg 1994

(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.29	4	2	2.91				SF_C1460	None		Not checked

SMILES: NC(=O)N(O)CCc1sc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea]	3.74	2.87	7.0	25.0	NMR spectroscopy	M. Cotta Ramusino 1998
[b-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea]	3.77	2.87	7.0	25.0	UV-vis spectroscopy	M. Cotta Ramusino 1998
[b-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea]	3.71	2.26	7.0	25.0	Circular dichroism spectroscopy	M. Cotta Ramusino 1998
[g-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea]	3.41	2.34	7.0	25.0	NMR spectroscopy	M. Cotta Ramusino 1998
[g-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea]	3.23	2.26	7.0	25.0	UV-vis spectroscopy	M. Cotta Ramusino 1998
[g-Cyclodextrin](1).[(-)-N-(benzo[b]thien-2-ylethyl) N-hydroxyurea]	3.20	2.48	7.0	25.0	Circular dichroism spectroscopy	M. Cotta Ramusino 1998

(-)-a-Methylbenzylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
121.18	1	1	2.41				nt0549	None		Not checked

SMILES: NC(C)C1=CC=CC=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[(-)-a-Methylbenzylamine]	1.53			25.0		Kenneth A. Connors 1995