OpenMolDB

ephedrine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
165.23	2	2	1.72				SF_C106	None		Not checked

SMILES: CN[C@@H](C)[C@H](O)c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[ephedrine]	1.75	1.26			SPR experiments	Michael J. Sepaniak 2003
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[ephedrine]	0.60				SPR experiments	Michael J. Sepaniak 2003

ester derivative

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1339	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[BCD dimer derivative 2](1).[ester derivative]	4.11	2.00			Circular dichroism spectroscopy	Ronald Breslow 1989
[BCD dimer derivative 2](1).[ester derivative]	8.00	7.90	7.0	25.0	Circular dichroism spectroscopy	Ronald Breslow 1989

estradiol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
272.38	2	2	3.61				SF_C138	None		Not checked

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[3-Dithiobis(undecanoylamido)-3-deoxy-b-cyclodextrin](1).[estradiol]	4.23		7.2	25.0	Fluorescence spectroscopy	Hiromi Kitano 2005
[6-(Lipoylamido)-6-deoxy-b-cyclodextrin](1).[estradiol]	4.11		7.2	25.0	Fluorescence spectroscopy	Hiromi Kitano 2005

ethanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
46.07	1	1	0.00				SF_C164	None		Not checked

SMILES: CCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[ethanol]	0.65	-0.05	1.0	25.0	UV-vis spectroscopy	L. Garcia-Rio 2005

ethyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
46.07	1	1	0.00				JN_214	None		Not checked

SMILES: CCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[ethyl alcohol]	-0.03			25.0	spectrophotometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ethyl alcohol]	-0.32	-1.30	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996

ethyl ester of mono-2-O-(2-ethanoic acid)-BCD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0274	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[ethyl ester of mono-2-O-(2-ethanoic acid)-BCD](1).[xanthone]	3.23	2.45		20.0	fluorescence spectroscopy	Cornelia Bohne 2001
[ethyl ester of mono-2-O-(2-ethanoic acid)-BCD](1).[xanthone]	2.28	1.30		25.0	absorption spectroscopy	Cornelia Bohne 2001

ethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.25				JN_84	None		Not checked

SMILES: CCc1ccccc1

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[ethylbenzene]	2.02	0.85	25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[a-Cyclodextrin](1).[ethylbenzene]	2.04	1.00	25.0		Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[ethylbenzene]	2.59	1.18	25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[ethylbenzene]	2.52	1.00	25.0		Qing-Xiang Guo 1998

ethyldimethylbenzylammonium bromide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
244.17	0	0	-0.71				SF_C1650	None		Not checked

SMILES: [Br-].CC[N+](C)(C)Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[ethyldimethylbenzylammonium bromide]	1.04			25.0	UV-vis spectroscopy	B. Tutaj 2005

ethylenediamino bridged bis(BCD)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0275	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[ethylenediamino bridged bis(BCD)](1).[brilliant green]	4.08	25.0	UV-vis spectroscopy	Yu Liu 2001
[ethylenediamino bridged bis(BCD)](1).[methyl orange]	4.39	25.0	circular dichroism spectroscopy	Yu Liu 2001
[ethylenediamino bridged bis(BCD)](1).[ammonium 8-anilino-1-naphthalenesulphonic acid]	3.39	25.0	fluorescence spectroscopy	Yu Liu 2001
[ethylenediamino bridged bis(BCD)](1).[sodium 6-(p-toluidino)-2-naphthalenesulphonic acid]	4.27	25.0	fluorescence spectroscopy	Yu Liu 2001

etidocaine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
276.42	3	1	3.83				JN_41	None		Not checked

SMILES: CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[b-Cyclodextrin](1).[etidocaine]	1.58	0.20	25.0	HPLC	Gilles Dollo 1996
[b-Cyclodextrin](1).[etidocaine]	1.43	0.23	37.0	HPLC	Gilles Dollo 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[etidocaine]	1.87	0.18	25.0	HPLC	Gilles Dollo 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[etidocaine]	1.79	0.20	37.0	HPLC	Gilles Dollo 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[etidocaine]	1.38	-0.10	25.0	HPLC	Gilles Dollo 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[etidocaine]	1.31	-0.52	37.0	HPLC	Gilles Dollo 1996

etilenglicol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C64	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[etilenglicol]	-0.60	-1.30	0.8	25.0	UV/VIS spectrometry	Jorge Pérez-Juste 2006

eugenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
164.20	2	1	2.13				SF_C1648	None		Not checked

SMILES: COc1cc(CC=C)ccc1O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[eugenol]	4.69	7.0	20.0	UV-vis spectroscopy	Le Xin Song 2005
[b-Cyclodextrin](1).[eugenol]	5.60	7.0	20.0	UV-vis spectroscopy	Le Xin Song 2005
[g-Cyclodextrin](1).[eugenol]	5.17	7.0	20.0	UV-vis spectroscopy	Le Xin Song 2005
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[eugenol]	4.97	7.0	20.0	UV-vis spectroscopy	Le Xin Song 2005

fenbufen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
254.28	3	1	3.40				JN_115	None		Not checked

SMILES: OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[fenbufen]	3.41	2.18	7.4		absorption spectroscopy, induced circular dichroism	Sandra Monti 1999

fenoprofen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
242.27	3	1	3.67				SF_C605	None		Not checked

SMILES: CC(C(O)=O)c1cccc(Oc2ccccc2)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[fenoprofen]	2.06	0.90	2.0	20.0	Fluorescence spectroscopy	Jana Sadecka 2005
[a-Cyclodextrin](1).[fenoprofen]	1.90	1.00	7.0	20.0	Fluorescence spectroscopy	Jana Sadecka 2005

fenoprofen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
242.27	3	1	3.67				SF_C606	None		Not checked

SMILES: CC(C(O)=O)c1cccc(Oc2ccccc2)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[fenoprofen]	3.68	2.60	2.0	20.0	Fluorescence spectroscopy	Jana Sadecka 2005
[b-Cyclodextrin](1).[fenoprofen]	3.26	1.90	7.0	20.0	Fluorescence spectroscopy	Jana Sadecka 2005