OpenMolDB

L-LeuO-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C70	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[copper(II) complex of 6-deoxy-6-N-histamine-b-CD](1).[L-LeuO-]	14.89			25.0	Potentiometric titration	Rosangela Marchelli, Enrico Rizzarelli 1994

L-Leucine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
131.17	3	2	1.14				SF_C911	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[L-Leucine]	4.19		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997

L-Mandelic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.15	3	2	0.80				nt0501	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-Mandelic acid]	2.30			25.0		Kenneth A. Connors 1995

L-Mandelic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
151.14	2	1	-0.53				nt0502	None		Not checked

SMILES: OC(C1=CC=CC=C1)C([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-Mandelic acid anion]	0.89			25.0		Kenneth A. Connors 1995

L-Mandelic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
151.14	2	1	-0.53				nt1423	None		Not checked

SMILES: OC(C1=CC=CC=C1)C([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[L-Mandelic acid anion]	1.23			25.0		Kenneth A. Connors 1995

L-Met-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0065	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[L-Met-b-CD](1).[ammonium 8-anilino-1-naphthalenesulfonate]	2.75		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2000
[L-Met-b-CD](1).[Rhodamine B]	3.45		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2000

L-Methionine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
149.21	4	2	0.85				nt0512	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-Methionine]	0.95			25.0		Kenneth A. Connors 1995

L-N-Trifluoroacetyl-4-fluorophenylalanine anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
278.18	3	1	0.56				nt0857	None		Not checked

SMILES: O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(C(F)(F)F)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-N-Trifluoroacetyl-4-fluorophenylalanine anion]	1.06			25.0		Kenneth A. Connors 1995

L-N-Trifluoroacetylphenylalanine anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
260.19	3	1	0.42				nt0859	None		Not checked

SMILES: O=C([O-])[C@H](CC1=CC=CC=C1)NC(C(F)(F)F)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-N-Trifluoroacetylphenylalanine anion]	0.80			25.0		Kenneth A. Connors 1995

L-NValO-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C72	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[copper(II) complex of 6-deoxy-6-N-histamine-b-CD](1).[L-NValO-]	14.80			25.0	Potentiometric titration	Rosangela Marchelli, Enrico Rizzarelli 1994

L-Norleucine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
131.17	3	2	1.29				nt0727	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-Norleucine]	1.66			25.0		Kenneth A. Connors 1995

L-Norvaline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	3	2	0.90				nt0729	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-Norvaline]	1.08			25.0		Kenneth A. Connors 1995

L-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
165.19	3	2	1.34				SF_C1754	None		Not checked

SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-Phe ]	1.11	-0.40	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[b-Cyclodextrin](1).[L-Phe ]	1.23	-0.22	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[L-Phe ]	0.60	-0.30	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[L-Phe ]	0.70	-0.30	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994

L-Phe-L-Ala

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.27	5	3	1.24				SF_C579	None		Not checked

SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-b-Cyclodextrin](1).[L-Phe-L-Ala]	2.40				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Sulfated-b-Cyclodextrin](1).[L-Phe-L-Ala]	2.40	1.46	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[Sulfated-b-Cyclodextrin](1).[L-Phe-L-Ala]	1.65	0.45	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[L-Phe-L-Ala]	2.12				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[L-Phe-L-Ala]	2.12	1.08	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[L-Phe-L-Ala]	1.76	0.85	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003

L-Phe-L-Ala

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.27	5	3	1.24				SF_C678	None		Not checked

SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[L-Phe-L-Ala]	1.94	1.28	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003