OpenMolDB

2,2'-dihydroxy-1,1'-dinaphthylmethane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_359	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2,2'-dihydroxy-1,1'-dinaphthylmethane]	2.26	1.00	5.5	25.0	fluorescence spectroscopy, circular dichroism	Koji Kano 1991
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[2,2'-dihydroxy-1,1'-dinaphthylmethane]	1.95		5.5	25.0	fluorescence spectroscopy, circular dichroism	Koji Kano 1991
[g-Cyclodextrin](1).[2,2'-dihydroxy-1,1'-dinaphthylmethane]	2.32	1.48	5.5	25.0	fluorescence spectroscopy, circular dichroism	Koji Kano 1991
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[2,2'-dihydroxy-1,1'-dinaphthylmethane]	2.15	0.70	5.5	25.0	fluorescence spectroscopy, circular dichroism	Koji Kano 1991

2,2'N-b-cyclodextrin dimers der. 7a

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0125	None

SMILES:

Supramolecules

Name	log K	SD	pH	Method	Ref
[2,2'N-b-cyclodextrin dimers der. 7a](1).[6-(p-Toluidino)-2-naphthalenesulfonic acid]	3.56	2.30	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7a](1).[tri-t-butylphenyl-mono-carboxyphenyl-porphyrin]	5.65	5.11	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7a](1).[Zn-tri-t-butylphenoxy-mono-sulfophenoxy-phthalocyanine]	5.52	4.70	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7a](1).[bis-(3-pyridyloxy)dibenzo-di-naphtho-porphyrazinato-zinc(II)-complex]	5.32	4.70	9.0	Fluorescence spectroscopy	A. Ruebner 1997

2,2'N-b-cyclodextrin dimers der. 7b

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0126	None

SMILES:

Supramolecules

Name	log K	SD	pH	Method	Ref
[2,2'N-b-cyclodextrin dimers der. 7b](1).[6-(p-Toluidino)-2-naphthalenesulfonic acid]	3.58	2.48	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7b](1).[tri-t-butylphenyl-mono-carboxyphenyl-porphyrin]	5.49	4.90	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7b](1).[Zn-tri-t-butylphenoxy-mono-sulfophenoxy-phthalocyanine]	5.11	4.48	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7b](1).[bis-(3-pyridyloxy)dibenzo-di-naphtho-porphyrazinato-zinc(II)-complex]	5.80	5.28	9.0	Fluorescence spectroscopy	A. Ruebner 1997

2,2'N-b-cyclodextrin dimers der. 7c

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0127	None

SMILES:

Supramolecules

Name	log K	SD	pH	Method	Ref
[2,2'N-b-cyclodextrin dimers der. 7c](1).[6-(p-Toluidino)-2-naphthalenesulfonic acid]	3.74	2.48	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7c](1).[tri-t-butylphenyl-mono-carboxyphenyl-porphyrin]	5.11	4.70	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7c](1).[Zn-tri-t-butylphenoxy-mono-sulfophenoxy-phthalocyanine]	7.18	6.48	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7c](1).[bis-(3-pyridyloxy)dibenzo-di-naphtho-porphyrazinato-zinc(II)-complex]	5.92	5.26	9.0	Fluorescence spectroscopy	A. Ruebner 1997

2,2'N-b-cyclodextrin dimers der. 7d

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0128	None

SMILES:

Supramolecules

Name	log K	SD	pH	Method	Ref
[2,2'N-b-cyclodextrin dimers der. 7d](1).[6-(p-Toluidino)-2-naphthalenesulfonic acid]	3.75	2.30	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7d](1).[tri-t-butylphenyl-mono-carboxyphenyl-porphyrin]	5.15	4.48	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7d](1).[Zn-tri-t-butylphenoxy-mono-sulfophenoxy-phthalocyanine]	6.61	5.95	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[2,2'N-b-cyclodextrin dimers der. 7d](1).[bis-(3-pyridyloxy)dibenzo-di-naphtho-porphyrazinato-zinc(II)-complex]	5.94	4.60	9.0	Fluorescence spectroscopy	A. Ruebner 1997

2,2-Dimethyl-1-propanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.02				nt0337	None		Not checked

SMILES: CC(C)(C)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2,2-Dimethyl-1-propanol]	1.47			25.0		Kenneth A. Connors 1995

2,2-Dimethyl-1-propanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.02				nt1220	None		Not checked

SMILES: CC(C)(C)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2,2-Dimethyl-1-propanol]	2.76			25.0		Kenneth A. Connors 1995

2,2-Dimethyl-1-propanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
88.15	1	1	1.02				nt1221	None		Not checked

SMILES: CC(C)(C)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

2,2-Dimethylpropionic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
101.12	1	0	-0.22				nt0338	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2,2-Dimethylpropionic acid anion]	0.70			25.0		Kenneth A. Connors 1995

2,2-dimethyl-3-hexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
130.23	1	1	2.19				SF_C1138	None		Not checked

SMILES: CCCC(O)C(C)(C)C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(1-benzotriazole)]-b-cyclodextrin](1).[2,2-dimethyl-3-hexanol]	2.58		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001
[mono[6-benzylseleno-6-deoxy]-b-cyclodextrin](1).[2,2-dimethyl-3-hexanol]	1.61		7.2	25.0	Differential circular dichroism spectroscopy	Yu Liu 2001

2,2’-Biquinoline-4,4’-dicarboxy-bridged bis(6-O-b-CyD)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0024	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2,2’-Biquinoline-4,4’-dicarboxy-bridged bis(6-O-b-CyD)](1).[cholate]	3.73		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004
[2,2’-Biquinoline-4,4’-dicarboxy-bridged bis(6-O-b-CyD)](1).[deoxycholate]	3.45		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004

2,3,5-Trimethyl-4-hydroxyphenylazobenzene-4-carboxylic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0865	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2,3,5-Trimethyl-4-hydroxyphenylazobenzene-4-carboxylic acid anion]	3.10			25.0		Kenneth A. Connors 1995

2,3,6-Naphthalenetrisulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
365.34	6	0	2.79				nt1543	None		Not checked

SMILES: [O-][S](=O)(=O)c1ccc2cc(c(cc2c1)[S]([O-])(=O)=O)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2,3,6-Naphthalenetrisulfonate]	2.22			25.0		Kenneth A. Connors 1995

2,3,6-naphthalenetrisulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
365.34	6	0	2.79				SF_C1317	None		Not checked

SMILES: [O-][S](=O)(=O)c1ccc2cc(c(cc2c1)[S]([O-])(=O)=O)[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2,3,6-naphthalenetrisulfonate ]	2.22	0.03	7.2	25.0	Calorimetry	Yoshihisa Inoue 1993

2,3-DMe-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0110	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2,3-DMe-b-CD](1).[5,10,15-tris(3,5-dicarboxylatophenyl)-20-phenylporphyrin]	6.93	5.70	7.0	25.0	Isothermal titration calorimetry	Koji Kano 2005