OpenMolDB

2-Toluidinylnaphthalene-6-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1807	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-Toluidinylnaphthalene-6-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1808	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-Toluidinylnaphthalene-6-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1809	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-Toluidinylnaphthalene-6-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1810	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-Toluidinylnaphthalene-6-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1811	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-Toluidinylnaphthalene-6-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1993	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[2-Toluidinylnaphthalene-6-sulfonate anion]	2.04			25.0		Kenneth A. Connors 1995

2-Toluidinylnaphthalene-6-sulfonate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1994	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2-[ (p-amino)phenyl]-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				SF_C1377	None		Not checked

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

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-[ (p-amino)phenyl]-3,3-dimethyl-5-cyano-3H-indole]	1.32	9.5	25.0	Fluorescence spectroscopy	Gilles Durocher 1997
[a-Cyclodextrin](2).[2-[ (p-amino)phenyl]-3,3-dimethyl-5-cyano-3H-indole]	1.41	9.5	25.0	Fluorescence spectroscopy	Gilles Durocher 1997
[g-Cyclodextrin](1).[2-[ (p-amino)phenyl]-3,3-dimethyl-5-cyano-3H-indole]	3.09	9.5	25.0	Fluorescence spectroscopy	Gilles Durocher 1997
[g-Cyclodextrin](2).[2-[ (p-amino)phenyl]-3,3-dimethyl-5-cyano-3H-indole]	1.20	9.5	25.0	Fluorescence spectroscopy	Gilles Durocher 1997

2-[ (p-dimethylamino)phenyll-3,3-dimethyl-5-cyano-3H-indole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1378	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-[ (p-dimethylamino)phenyll-3,3-dimethyl-5-cyano-3H-indole]	1.23	9.5	25.0	Fluorescence spectroscopy	Gilles Durocher 1997
[a-Cyclodextrin](2).[2-[ (p-dimethylamino)phenyll-3,3-dimethyl-5-cyano-3H-indole]	1.23	9.5	25.0	Fluorescence spectroscopy	Gilles Durocher 1997
[g-Cyclodextrin](1).[2-[ (p-dimethylamino)phenyll-3,3-dimethyl-5-cyano-3H-indole]	3.89	9.5	25.0	Fluorescence spectroscopy	Gilles Durocher 1997
[g-Cyclodextrin](2).[2-[ (p-dimethylamino)phenyll-3,3-dimethyl-5-cyano-3H-indole]	1.60	9.5	25.0	Fluorescence spectroscopy	Gilles Durocher 1997

2-[(3a,7a,12a-trihydroxy-24-oxo-5b-cholan-24-yl) amino]ethanesulfonic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
515.70	8	5	3.84				VR_C37	None		Not checked

SMILES: C[C@H](CCC(=O)NCC[S](O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[2-[(3a,7a,12a-trihydroxy-24-oxo-5b-cholan-24-yl) amino]ethanesulfonic acid ]	3.33	1.52		25.0	Isothermal Titration Calorimetry	Fredrik Ollila 2001

2-[4-(dimethylamino)phenylaza]benzoic acid sodium salt

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
266.27	3	0	1.25				SF_C1697	None		Not checked

SMILES: O=C([O-])N1C(C2=CC=C(N(C)C)C=C2)=CC=CC1.[Na+]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-[4-(dimethylamino)phenylaza]benzoic acid sodium salt]	2.51	1.20	6.8	25.0	Conductivity measurements	Khalid M. Tawarah 1993

2-adamantanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.23	1	1	1.80				NT_a0027	None		Not checked

SMILES: OC1C2CC3CC(C2)CC1C3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-adamantanol]	4.01		8.3	25.0	Absorption spectroscopy	Ueno, Akihiko 1997

2-adamantanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.23	1	1	1.80				NT_b0151	None		Not checked

SMILES: OC1C2CC3CC(C2)CC1C3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[L-Trp-b-CD](1).[2-adamantanol]	4.14		7.2	25.0	spectrofluorometric titration	Yu Liu 1999

2-adamantanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.23	1	1	1.80				SF_C400	None		Not checked

SMILES: OC1C2CC3CC(C2)CC1C3

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[NC0-b-CD](1).[2-adamantanol]	5.76	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[2-adamantanol]	4.36	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[2-adamantanol]	3.20	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005

2-adamantanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.23	1	1	1.80				SF_C1023	None		Not checked

SMILES: OC1C2CC3CC(C2)CC1C3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(p-metholxylphenylseleno)-6-deoxy]-b-cyclodextrin](1).[2-adamantanol ]	4.16		7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999
[mono[6-(ptolylseleno)-6-deoxy]-b-cyclodextrin](1).[2-adamantanol ]	5.64		7.2	25.0	Circular dichroism spectroscopy	Yu Liu 1999