OpenMolDB

2-allylaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
133.19	1	1	2.58				SF_C1659	None		Not checked

SMILES: Nc1ccccc1CC=C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-allylaniline]	2.18		7.0	22.0	Fluorescence spectroscopy	Sandra Monti 2005

2-allylanisole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
148.20	1	0	2.42				SF_C1658	None		Not checked

SMILES: COc1ccccc1CC=C

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-allylanisole]	2.36	7.0	22.0	UV-vis spectroscopy	Sandra Monti 2005
[b-Cyclodextrin](1).[2-allylanisole]	2.80	7.0	22.0	Fluorescence spectroscopy	Sandra Monti 2005
[b-Cyclodextrin](1).[2-allylanisole]	2.36	7.0	22.0	Circular dichroism spectroscopy	Sandra Monti 2005

2-allylphenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
134.18	1	1	2.12				SF_C1657	None		Not checked

SMILES: Oc1ccccc1CC=C

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-allylphenol]	2.31	7.0	22.0	UV-vis spectroscopy	Sandra Monti 2005
[b-Cyclodextrin](1).[2-allylphenol]	2.39	7.0	22.0	Fluorescence spectroscopy	Sandra Monti 2005
[b-Cyclodextrin](1).[2-allylphenol]	2.46	7.0	22.0	Circular dichroism spectroscopy	Sandra Monti 2005

2-amino-5,6-dimethyl-benzimidazole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
161.20	2	2	2.34				SF_C937	None		Not checked

SMILES: Cc1cc2[nH]c(N)nc2cc1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-amino-5,6-dimethyl-benzimidazole]	3.32	1.89	7.0	25.0	Fluorescence spectroscopy	Ibrahim M. El-Mehasseb 2004

2-amino-5-bromo-6-phenyl-pyrimidin-4(3H)-one

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
266.09	3	2	2.36				SF_C1752	None		Not checked

SMILES: NC1=NC(=C(Br)C(=O)N1)c2ccccc2

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-amino-5-bromo-6-phenyl-pyrimidin-4(3H)-one]	2.41	7.0	25.0	UV-vis spectroscopy	S.M. Ahmed 1991
[b-Cyclodextrin](1).[2-amino-5-bromo-6-phenyl-pyrimidin-4(3H)-one]	2.35	7.0	30.0	UV-vis spectroscopy	S.M. Ahmed 1991
[b-Cyclodextrin](1).[2-amino-5-bromo-6-phenyl-pyrimidin-4(3H)-one]	2.33	7.0	37.0	UV-vis spectroscopy	S.M. Ahmed 1991
[b-Cyclodextrin](1).[2-amino-5-bromo-6-phenyl-pyrimidin-4(3H)-one]	2.29	7.0	45.0	UV-vis spectroscopy	S.M. Ahmed 1991

2-amino-7-bromofluorene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
260.13	1	1	4.18				SF_C1631	None		Not checked

SMILES: Nc1ccc2c(Cc3cc(Br)ccc23)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-amino-7-bromofluorene]	2.75		10.0		Fluorescence spectroscopy	M. Swaminathan 2004

2-aminobenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
137.14	3	2	1.55				SF_C638	None		Not checked

SMILES: Nc1ccccc1C(O)=O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-aminobenzoic acid]	2.28	1.0	30.0	UV-vis spectroscopy	N. Rajendiran 2006
[b-Cyclodextrin](1).[2-aminobenzoic acid]	2.62	1.0	30.0	Fluorescence spectroscopy	N. Rajendiran 2006
[b-Cyclodextrin](1).[2-aminobenzoic acid]	1.83	7.0	30.0	UV-vis spectroscopy	N. Rajendiran 2006
[b-Cyclodextrin](1).[2-aminobenzoic acid]	1.98	7.0	30.0	Fluorescence spectroscopy	N. Rajendiran 2006

2-aminobenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
137.14	3	2	1.55				SF_C640	None		Not checked

SMILES: Nc1ccccc1C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-aminobenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
137.14	3	2	1.55				SF_C641	None		Not checked

SMILES: Nc1ccccc1C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-aminodiphenylsulphone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
233.29	3	1	3.76				SF_C140	None		Not checked

SMILES: O=S(C1=CC=CC=C1N)(C2=CC=CC=C2)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](2).[2-aminodiphenylsulphone]	5.10		6.0	25.0	UV-Vis spectroscopy and fluorescence spectroscopy	Meenakshisundaram Swaminathan 2005

2-aminonaphtalene-1,5-disulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
301.30	5	1	2.97				SF_C98	None		Not checked

SMILES: O=S(C1=C2C=CC=C(S(=O)([O-])=O)C2=CC=C1N)([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-aminonaphtalene-1,5-disulfonate]	1.47	0.91	3.0	25.0	Capillary electrophoresis	Wang-Hsien Ding 2004
[b-Cyclodextrin](1).[2-aminonaphtalene-1,5-disulfonate]	1.13	0.41	3.0	25.0	Capillary electrophoresis	Wang-Hsien Ding 2004
[b-Cyclodextrin](1).[2-aminonaphtalene-1,5-disulfonate]	0.88		9.2	25.0	Capillary electrophoresis	Wang-Hsien Ding 2004
[g-Cyclodextrin](1).[2-aminonaphtalene-1,5-disulfonate]	1.24	0.76	3.0	25.0	Capillary electrophoresis	Wang-Hsien Ding 2004
[g-Cyclodextrin](1).[2-aminonaphtalene-1,5-disulfonate]	1.13		9.2	25.0	Capillary electrophoresis	Wang-Hsien Ding 2004

2-anilino-7-naphthalenesulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
298.34	3	1	4.64				NT_a0002	None		Not checked

SMILES: [O-][S](=O)(=O)c1ccc2ccc(Nc3ccccc3)cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-anilino-7-naphthalenesulfonate]	3.18			25.0	Fluorometric method	PARK, J.W., 1989

2-anilinonaphthalene-6-sulfonic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
299.34	4	2	4.98				SF_C1375	None		Not checked

SMILES: O[S](=O)(=O)c1ccc2cc(Nc3ccccc3)ccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-anilinonaphthalene-6-sulfonic acid]	3.33	1.78	7.0	19.0	High-pressure fluorescence spectroscopy	Christine E. Evans 1997

2-anthracenecarboxylate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
221.23	1	0	2.36				SF_C392	None		Not checked

SMILES: [O-]C(=O)c1ccc2cc3ccccc3cc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](2).[2-anthracenecarboxylate]	6.90	5.36	9.1	25.0	HPLC method	Hiroshi Ikeda 2005
[Py2(AB)-g-CD](2).[2-anthracenecarboxylate]	7.25	6.11	9.1	25.0	HPLC method	Hiroshi Ikeda 2005
[Py2(AC)-g-CD](2).[2-anthracenecarboxylate]	7.21	5.78	9.1	25.0	HPLC method	Hiroshi Ikeda 2005
[Py2(AD)-g-CD](2).[2-anthracenecarboxylate]	7.24	5.48	9.1	25.0	HPLC method	Hiroshi Ikeda 2005
[Py2(AE)-g-CD](2).[2-anthracenecarboxylate]	7.97	6.68	9.1	25.0	HPLC method	Hiroshi Ikeda 2005

2-anthracenecarboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
222.24	2	1	3.69				JN_AB_1	None		Not checked

SMILES: OC(=O)c1ccc2cc3ccccc3cc2c1

Supramolecules

Name	log K	T(°C)	Method	Ref
[g-Cyclodextrin](1).[2-anthracenecarboxylic acid]	2.26	20.0	UV-vis, NMR and circular dichroism spectroscopy	Yoshihisa Inoue 2006
[g-Cyclodextrin](1).[2-anthracenecarboxylic acid]	2.26	20.0	circular dichroism spectroscopy	Yoshihisa Inoue 2006
[g-Cyclodextrin](0.5).[2-anthracenecarboxylic acid]	4.75	20.0	UV-vis, NMR and circular dichroism spectroscopy	Yoshihisa Inoue 2006
[g-Cyclodextrin](0.5).[2-anthracenecarboxylic acid]	4.75	20.0	circular dichroism spectroscopy	Yoshihisa Inoue 2006
[GCD derivate](1).[2-anthracenecarboxylic acid]	3.84	20.0	UV-vis, NMR and circular dichroism spectroscopy	Yoshihisa Inoue 2006
[GCD derivate](1).[2-anthracenecarboxylic acid]	2.24	20.0	circular dichroism spectroscopy	Yoshihisa Inoue 2006
[GCD derivate](0.5).[2-anthracenecarboxylic acid]	3.50	20.0	UV-vis, NMR and circular dichroism spectroscopy	Yoshihisa Inoue 2006
[GCD derivate](0.5).[2-anthracenecarboxylic acid]	4.24	20.0	circular dichroism spectroscopy	Yoshihisa Inoue 2006