OpenMolDB

bisphenol F

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
200.23	2	2	2.69				JN_N_1	None		Not checked

SMILES: Oc1ccccc1Cc2ccccc2O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[bisphenol F]	3.80		6.0		UV-Vis spectroscopy, fluorescence spectroscopy	Nansheng Deng 2006

bisphenol S

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
250.27	4	2	3.01				NT_c0250	None		Not checked

SMILES: Oc1ccc(cc1)[S](=O)(=O)c2ccc(O)cc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[bisphenol S]	3.92	3.20	7.0	25.0	self-assembled monolayer	Hiromi Kitano 2002

bisphenols

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
250.27	4	2	3.01				SF_C134	None		Not checked

SMILES: C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[3-Dithiobis(undecanoylamido)-3-deoxy-b-cyclodextrin](1).[bisphenols]	4.15		7.2	25.0	Fluorescence spectroscopy	Hiromi Kitano 2005
[6-(Lipoylamido)-6-deoxy-b-cyclodextrin](1).[bisphenols]	4.34		7.2	25.0	Fluorescence spectroscopy	Hiromi Kitano 2005

bisphenols

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
250.27	4	2	3.01				SF_C135	None		Not checked

SMILES: C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

bisphenols

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
250.27	4	2	3.01				SF_C136	None		Not checked

SMILES: C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

bisphenols

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
250.27	4	2	3.01				SF_C137	None		Not checked

SMILES: C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

borneol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	1	2.19				JN_5	None		Not checked

SMILES: CC1(C)C2CCC1(C)C(O)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6-Deoxy-6-amino{4-[4-(dimethylamino)phenylazo]benzoyl}-BCD (p-methyl red-modified; "2")](1).[borneol]	4.18		2.52		UV-vis spectroscopy, induced circular dichroism	Tetsuo Kuwabara 1994
[6-Deoxy-6-amino{4-[4-(dimethylamino)phenylazo]benzoyl}-BCD (p-methyl red-modified; "2")](1).[borneol]	3.58		7.2		UV-vis spectroscopy, induced circular dichroism	Tetsuo Kuwabara 1994

bpm-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0042	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bpm-CD](1).[Tb-podate]	5.10		7.3	20.0	Luminescence titrations	Jean-Claude G. Bünzli 2000

bridged BCD dimer (B2benz)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0332	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bridged BCD dimer (B2benz)](1).[EG2RE (ethylene glycol-rhenium complex)]	3.74	2.78	7.0		NMR spectroscopy	David N. Reinhoudt 2001

bridged BCD dimer (B2dans)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0333	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[bridged BCD dimer (B2dans)](1).[AdEt2Re (adamantoxyethyl-rhenium complex)]	9.00		7.0		NMR spectroscopy	David N. Reinhoudt 2001

brilliant green

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
482.63	5	1	6.48				SF_C1211	None		Not checked

SMILES: CCN(CC)c1ccc(cc1)[C+](c2ccccc2)c3ccc(cc3)N(CC)CC.O[S]([O-])(=O)=O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[brilliant green]	3.34	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[b-Cyclodextrin](1).[brilliant green]	3.34	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001
[b-Cyclodextrin](1).[brilliant green]	3.34		25.0	UV-vis spectroscopy	Yu Liu 2001
[N,N'-Bis(6'-(2-ethylamino)-6'-deoxycyclomaltoheptaose)benzene-1,3- or 1,4-dicarboxylic acid 4,6-or 2,5-diamide](1).[brilliant green]	3.89	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

brilliant green

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
482.63	5	1	6.48				SF_C1814	None		Not checked

SMILES: CCN(CC)c1ccc(cc1)[C+](c2ccccc2)c3ccc(cc3)N(CC)CC.O[S]([O-])(=O)=O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[brilliant green]	3.59	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001
[N,N'-bis(2-aminoethyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[brilliant green]	3.91	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[brilliant green]	3.84	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[brilliant green]	3.59	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001

brilliant green

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
482.63	5	1	6.48				SF_C823	None		Not checked

SMILES: CCN(CC)c1ccc(cc1)[C+](c2ccccc2)c3ccc(cc3)N(CC)CC.O[S]([O-])(=O)=O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[organoselenium-bridged bis(b-cyclodextrin)](1).[brilliant green]	3.49	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 3](1).[brilliant green]	4.12	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 4](1).[brilliant green]	3.98	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 5](1).[brilliant green]	3.71	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003

brilliant green

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
482.63	5	1	6.48				JN_295	None		Not checked

SMILES: CCN(CC)c1ccc(cc1)[C+](c2ccccc2)c3ccc(cc3)N(CC)CC.O[S]([O-])(=O)=O

Supramolecules

Name	log K	T(°C)	Method	Ref
[diethylenetriamino bridged bis(BCD)](1).[brilliant green]	3.80	25.0	UV-vis spectroscopy	Yu Liu 2001
[diethylenetriamino bridged bis(BCD) copper(II) complex](1).[brilliant green]	4.15	25.0	UV-vis spectroscopy	Yu Liu 2001
[ethylenediamino bridged bis(BCD)](1).[brilliant green]	4.08	25.0	UV-vis spectroscopy	Yu Liu 2001
[tetraethylenepentaamino bridged bis(BCD)](1).[brilliant green]	3.66	25.0	UV-vis spectroscopy	Yu Liu 2001

brombenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
157.01	0	0	2.45				SF_C120	None		Not checked

SMILES: C1=CC=C(C=C1)Br

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6I-(N-deoxy-b-cyclodextrin-6I-yl)-1-amido-3-substituted-7-pyridin-4-yl indolizine derivatives](1).[brombenzene]	3.16		7.0	25.0	Fluorescence spectroscopy	Franc¸ois Delattre 2005