OpenMolDB

benzyloxyacetaldehyde dimethyl acetal

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
196.24	3	0	1.82				SF_C1108	None		Not checked

SMILES: COC(COCc1ccccc1)OC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[benzyloxyacetaldehyde dimethyl acetal ]	2.34	1.40	6.9	25.0	Microcalorimetry	Yoshihisa Inoue 2000

betamethasone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.46	5	3	1.90				SF_C787	None		Not checked

SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[betamethasone]	2.23				HPLC-method	Nicholas H. Snow 2001

biphenyl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.21	0	0	3.35				SF_C1351	None		Not checked

SMILES: c1ccc(cc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[biphenyl]	1.70	0.48	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988
[a-Cyclodextrin](2).[biphenyl]	1.80	0.48	7.0	25.0	UV-vis spectroscopy	Kenneth A. Connors 1988

bis (dodecyldimethylammonium)diethyl ether dibromide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1664	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[bis (dodecyldimethylammonium)diethyl ether dibromide]	3.90	3.70	7.0	25.0	NMR spectroscopy	Gloria Tardajos 2006
[b-Cyclodextrin](2).[bis (dodecyldimethylammonium)diethyl ether dibromide]	4.45	3.95	7.0	25.0	NMR spectroscopy	Gloria Tardajos 2006

bis-(3-pyridyloxy)dibenzo-di-naphtho-porphyrazinato-zinc(II)-complex

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1172	None

SMILES:

Supramolecules

Name	log K	SD	pH	Method	Ref
[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](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](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](1).[bis-(3-pyridyloxy)dibenzo-di-naphtho-porphyrazinato-zinc(II)-complex]	5.94	4.60	9.0	Fluorescence spectroscopy	A. Ruebner 1997
[6,6'S-b-cyclodextrin dimers](1).[bis-(3-pyridyloxy)dibenzo-di-naphtho-porphyrazinato-zinc(II)-complex]	5.70	4.70	9.0	Fluorescence spectroscopy	A. Ruebner 1997

bis-[m-(N-(6-cyclodextryl)-2-aminoethylaminosulfonyl)phenyl]-m-(chlorosulfonyl)phenylphosphine oxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0159	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bis-[m-(N-(6-cyclodextryl)-2-aminoethylaminosulfonyl)phenyl]-m-(chlorosulfonyl)phenylphosphine oxide](1).[cyclopentanol ]	2.23	0.48	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[bis-[m-(N-(6-cyclodextryl)-2-aminoethylaminosulfonyl)phenyl]-m-(chlorosulfonyl)phenylphosphine oxide](1).[cyclohexanecarboxylic acid]	2.41	0.78	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[bis-[m-(N-(6-cyclodextryl)-2-aminoethylaminosulfonyl)phenyl]-m-(chlorosulfonyl)phenylphosphine oxide](1).[cyclopentanecarboxylic acid ]	2.62	1.20	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[bis-[m-(N-(6-cyclodextryl)-2-aminoethylaminosulfonyl)phenyl]-m-(chlorosulfonyl)phenylphosphine oxide](1).[N-Cbz-L-alanine]	2.20	0.78	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[bis-[m-(N-(6-cyclodextryl)-2-aminoethylaminosulfonyl)phenyl]-m-(chlorosulfonyl)phenylphosphine oxide](1).[N-Cbz-D-alanine ]	2.31	-0.70	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003

bis-b-CD derivative 1

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0306	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bis-b-CD derivative 1](1).[6-toluidino-2-naphthalenesulfonat]	4.45	3.04	7.0	23.0	Fluorescence spectroscopy	Russell C. Petter 1991
[bis-b-CD derivative 1](1).[6-(4-tert-butylanilino)-2-naphthalenesulfonate]	4.90	4.32	7.0	23.0	Fluorescence spectroscopy	Russell C. Petter 1991

bis-b-CD derivative 2

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0307	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bis-b-CD derivative 2](1).[6-toluidino-2-naphthalenesulfonat]	4.87	3.90	7.0	23.0	Fluorescence spectroscopy	Russell C. Petter 1991
[bis-b-CD derivative 2](1).[6-(4-tert-butylanilino)-2-naphthalenesulfonate]	6.91	6.08	7.0	23.0	Fluorescence spectroscopy	Russell C. Petter 1991

bis-b-CD derivative 3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0308	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bis-b-CD derivative 3](1).[6-(4-tert-butylanilino)-2-naphthalenesulfonate]	6.41	5.18	7.0	23.0	Fluorescence spectroscopy	Russell C. Petter 1991

bisphenol A

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.29	2	2	3.42				NT_c0248	None		Not checked

SMILES: CC(C)(c1ccc(O)cc1)c2ccc(O)cc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[bisphenol A]	3.26	2.30	7.0	25.0	self-assembled monolayer	Hiromi Kitano 2002

bisphenol A

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.29	2	2	3.42				JN_Q_1	None		Not checked

SMILES: CC(C)(c1ccc(O)cc1)c2ccc(O)cc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[bisphenol A]	3.76		6.0		UV-Vis and fluorescence spectroscopy	Nansheng Deng 2005
[b-Cyclodextrin](1).[bisphenol A]	4.26	3.60	7.0		fluorescence spectroscopy	Nansheng Deng 2006

bisphenol A

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
228.29	2	2	3.42				JN_K_1	None		Not checked

SMILES: CC(C)(c1ccc(O)cc1)c2ccc(O)cc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Soluble b-Cyclodextrin polymer](2).[bisphenol A]	6.10			25.0	infrared spectroscopy	Jin-Ming Lin 2005

bisphenol B

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
242.31	2	2	3.81				NT_c0249	None		Not checked

SMILES: CCC(C)(c1ccc(O)cc1)c2ccc(O)cc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[bisphenol B]	3.20	1.81	7.0	25.0	self-assembled monolayer	Hiromi Kitano 2002

bisphenol E

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
214.26	2	2	3.25				JN_R_1	None		Not checked

SMILES: CC(c1ccc(O)cc1)c2ccc(O)cc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[bisphenol E]	3.89		6.0		UV-Vis and fluorescence spectroscopy	Nansheng Deng 2006

bisphenol F

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
200.23	2	2	2.69				NT_c0247	None		Not checked

SMILES: Oc1ccccc1Cc2ccccc2O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[bisphenol F]	3.26	2.30	7.0	25.0	self-assembled monolayer	Hiromi Kitano 2002