OpenMolDB

lidocaine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
234.34	3	1	2.66				JN_42	None		Not checked

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

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[b-Cyclodextrin](1).[lidocaine]	1.41	-0.22	25.0	HPLC	Gilles Dollo 1996
[b-Cyclodextrin](1).[lidocaine]	1.37	0.08	37.0	HPLC	Gilles Dollo 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[lidocaine]	1.55	0.18	25.0	HPLC	Gilles Dollo 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[lidocaine]	1.64	-0.15	37.0	HPLC	Gilles Dollo 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[lidocaine]	1.30	-0.52	25.0	HPLC	Gilles Dollo 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[lidocaine]	1.36	-0.40	37.0	HPLC	Gilles Dollo 1996

lithocholic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
376.57	3	2	5.51				SF_C397	None		Not checked

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

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[NC0-b-CD](1).[lithocholic acid]	6.04	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[lithocholic acid]	5.95	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[lithocholic acid]	6.57	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005

lithocholic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
376.57	3	2	5.51				JN_443	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[pyrene-appended GCD (g-P1)](1).[lithocholic acid]	5.69			25.0	absorption and fluorescence spectroscopy	Akihiko Ueno 1990

lutetium(III) ion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1225	None

SMILES: [Lu+3]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[hexakis (2-O-carboxymethyl-3,6-anhydro)-a-cyclodextrin](1).[lutetium(III) ion]	7.40		7.0	25.0	potentiometric titrations	Pascale Delangle 2005
[hexakis (2-O-carboxymethyl-3,6-anhydro)-a-cyclodextrin](0.5).[lutetium(III) ion]	10.80		7.0	25.0	potentiometric titrations	Pascale Delangle 2005

lysine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.19	4	3	0.93				SF_C455	None		Not checked

SMILES: NCCCC[C@H](N)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-a-Cyclodextrin](1).[lysine]	2.22	1.09	9.4	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[lysine]	2.01	1.08	4.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[lysine]	2.15	1.14	9.4	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[lysine]	2.24	0.49	4.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006

lysine isoindole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
263.34	4	4	3.10				SF_C814	None		Not checked

SMILES: NCCCC[C@H](N)C(O)=O.[nH]1cc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[lysine isoindole]	2.11		7.0		Fluorescence spectroscopy	Brian D. Wagner 2003

m-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				NT_b0183	None		Not checked

SMILES: Cc1cccc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-Xylene]	1.34			25.0	modified static head-space gas chromatography method (M-SHSGC)	Yoshihiro Saito 2005

m-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				nt0871	None		Not checked

SMILES: Cc1cccc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[m-Xylene]	1.60			25.0		Kenneth A. Connors 1995

m-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				nt0872	None		Not checked

SMILES: Cc1cccc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

m-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				nt1835	None		Not checked

SMILES: Cc1cccc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-Xylene]	2.20			25.0		Kenneth A. Connors 1995

m-Xylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
106.17	0	0	2.30				nt1836	None		Not checked

SMILES: Cc1cccc(C)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

m-bromobenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
201.02	2	1	2.15				SF_C791	None		Not checked

SMILES: OC(=O)c1cccc(Br)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-bromobenzoic acid]	2.49	0.70	3.5	37.0	HPLC-method	Kaneto Uekama 2001

m-chloroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
127.57	1	1	2.50				JN_432	None		Not checked

SMILES: Nc1cccc(Cl)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-chloroaniline]	1.79			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

m-chlorophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
128.56	1	1	2.05				JN_417	None		Not checked

SMILES: Oc1cccc(Cl)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[m-chlorophenol]	1.80			23.0	reverse-phase liquid chromatography (RPLC)	Kazumi Fujimura 1986

m-chlorophenyl hydrogen maleate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
226.61	4	1	1.89				SF_C27	None		Not checked

SMILES: OC(=O)\C=C/C(=O)Oc1cccc(Cl)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[m-chlorophenyl hydrogen maleate]	2.15	1.20	2.0	25.0	UV/VIS spectrometry	Rita H. de Rossi 2005