OpenMolDB

2-(4'-(N,N-dimethylamino)phenyl)benzothiazole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
254.35	2	0	4.03				SF_C1400	None		Not checked

SMILES: CN(C)c1ccc(cc1)c2sc3ccccc3n2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(4'-(N,N-dimethylamino)phenyl)benzothiazole]	3.74		7.0	25.0	Fluorescence spectroscopy	Isiah M. Warner 1998

2-(4'-N,N-dimethylaminophenyl)benzimidazole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					NT_c0233	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(4'-N,N-dimethylaminophenyl)benzimidazole]	2.69	1.00	8.0		Fluorescence analysis	Shen K. Dogra 1999

2-(4'-aminophenyl)benzothiazole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
226.30	2	1	4.13				SF_C1399	None		Not checked

SMILES: Nc1ccc(cc1)c2sc3ccccc3n2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(4'-aminophenyl)benzothiazole]	3.19		7.0	25.0	Fluorescence spectroscopy	Isiah M. Warner 1998

2-(4-Methoxyanilino)naphthalene-6-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1453	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(4-Methoxyanilino)naphthalene-6-sulfonate anion]	2.98			25.0		Kenneth A. Connors 1995

2-(4-chlorophenoxy)propionic acid; enantiomer 2

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_50	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[2-(4-chlorophenoxy)propionic acid; enantiomer 2]	2.18	1.18	7.0	23.0	capillary electrophoresis	Daniel W. Armstrong 1996

2-(4-hydroxyphenyl)ethanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.16	2	2	0.93				SF_C1684	None		Not checked

SMILES: OCCc1ccc(O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(4-hydroxyphenyl)ethanol]	2.52	1.28	7.0	25.0	Fluorescence spectroscopy	Koji Kano 1992
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2-(4-hydroxyphenyl)ethanol]	2.39	1.32	7.0	25.0	Fluorescence spectroscopy	Koji Kano 1992
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[2-(4-hydroxyphenyl)ethanol]	1.81		7.0	25.0	Fluorescence spectroscopy	Koji Kano 1992

2-(N-methylanilino)naphthalene-6-sulfonic acid sodium salt

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
335.35	3	0	4.59				SF_C1376	None		Not checked

SMILES: O=S(C1=CC2=CC=C(N(C)C3=CC=CC=C3)C=C2C=C1)([O-])=O.[Na+]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(N-methylanilino)naphthalene-6-sulfonic acid sodium salt]	4.22	2.48	7.0	19.0	High-pressure fluorescence spectroscopy	Christine E. Evans 1997

2-(cyclohexylamino)ethanesulfonic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
207.29	4	2	2.27				SF_C899	None		Not checked

SMILES: O[S](=O)(=O)CCNC1CCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(cyclohexylamino)ethanesulfonic acid]	2.69	1.30	10.2	27.0	Gradient flow injection spectrophotometric technique	Michael A. Koupparis 1995

2-(p-aminophenyl)-3,3-dimethyl-5-carboethoxy-3H-indole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
308.37	4	1	3.87				NT_a0011	None		Not checked

SMILES: CCOC(=O)c1ccc2N=C(c3ccc(N)cc3)C(C)(C)c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(p-aminophenyl)-3,3-dimethyl-5-carboethoxy-3H-indole]	2.92	2.11	9.5		Steady-state fluorescence	Durocher, Gilles 1997
[b-Cyclodextrin](2).[2-(p-aminophenyl)-3,3-dimethyl-5-carboethoxy-3H-indole]	3.42	2.32	9.5		Steady-state fluorescence	Durocher, Gilles 1997

2-(p-aminophenyl)-3,3-dimethyl-5-cyano-3H-indole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
261.32	3	1	3.57				NT_a0013	None		Not checked

SMILES: CC1(C)c2cc(ccc2N=C1c3ccc(N)cc3)C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(p-aminophenyl)-3,3-dimethyl-5-cyano-3H-indole]	2.88	2.08	9.5		Steady-state fluorescence	Durocher, Gilles 1997
[b-Cyclodextrin](2).[2-(p-aminophenyl)-3,3-dimethyl-5-cyano-3H-indole]	2.88	1.78	9.5		Steady-state fluorescence	Durocher, Gilles 1997

2-(p-dimethylaminophenyl)-3,3-dimethyl-5-carboethoxy-3H-indole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
336.43	4	0	3.78				NT_a0012	None		Not checked

SMILES: CCOC(=O)c1ccc2N=C(c3ccc(cc3)N(C)C)C(C)(C)c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(p-dimethylaminophenyl)-3,3-dimethyl-5-carboethoxy-3H-indole]	3.25	2.54	9.5		Steady-state fluorescence	Durocher, Gilles 1997
[b-Cyclodextrin](2).[2-(p-dimethylaminophenyl)-3,3-dimethyl-5-carboethoxy-3H-indole]	3.71	2.66	9.5		Steady-state fluorescence	Durocher, Gilles 1997

2-(p-dimethylaminophenyl)-3,3-dimethyl-5-cyano-3H-indole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
289.37	3	0	3.47				NT_a0014	None		Not checked

SMILES: CN(C)c1ccc(cc1)C2=Nc3ccc(cc3C2(C)C)C#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(p-dimethylaminophenyl)-3,3-dimethyl-5-cyano-3H-indole]	3.16	2.34	9.5		Steady-state fluorescence	Durocher, Gilles 1997
[b-Cyclodextrin](2).[2-(p-dimethylaminophenyl)-3,3-dimethyl-5-cyano-3H-indole]	3.27	2.18	9.5		Steady-state fluorescence	Durocher, Gilles 1997

2-(p-methylaminophenyl)-3,3-dimethyl-5-carboethoxy-3H-indole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
322.40	4	1	3.83				NT_a0017	None		Not checked

SMILES: CCOC(=O)c1ccc2N=C(c3ccc(NC)cc3)C(C)(C)c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(p-methylaminophenyl)-3,3-dimethyl-5-carboethoxy-3H-indole]	3.14	2.45	9.5		Steady-state fluorescence	Durocher, Gilles 1997
[b-Cyclodextrin](2).[2-(p-methylaminophenyl)-3,3-dimethyl-5-carboethoxy-3H-indole]	3.51	2.41	9.5		Steady-state fluorescence	Durocher, Gilles 1997

2-(p-tolyl)ethylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
135.21	1	1	2.20				SF_C33	None		Not checked

SMILES: Cc1ccc(CCN)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-(p-tolyl)ethylamine]	2.14		6.8	25.0	HPLC-method	Alamdar Ashnagar 2005
[b-CDNSC](1).[2-(p-tolyl)ethylamine]	2.05		6.8	25.0	HPLC-method	Alamdar Ashnagar 2005

2-Acetylnaphthalene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
170.21	1	0	3.04				nt0009	None		Not checked

SMILES: CC(=O)c1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Acetylnaphthalene]	1.48			25.0		Kenneth A. Connors 1995