OpenMolDB

L-Phe-L-Ala

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.27	5	3	1.24				SF_C690	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

L-Phe-L-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
312.36	5	3	2.46				SF_C573	None		Not checked

SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[L-Phe-L-Phe]	2.14				Capillary electrophoresis	Bezhan Chankvetadze 2004
[b-Cyclodextrin](1).[L-Phe-L-Phe]	1.54				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[L-Phe-L-Phe]	1.73				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Sulfated-b-Cyclodextrin](1).[L-Phe-L-Phe]	2.51				Capillary electrophoresis	Bezhan Chankvetadze 2004
[Sulfated-b-Cyclodextrin](1).[L-Phe-L-Phe]	2.51	1.56	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[Sulfated-b-Cyclodextrin](1).[L-Phe-L-Phe]	1.57	0.85	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[L-Phe-L-Phe]	2.19				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[L-Phe-L-Phe]	2.19	1.20	2.5	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003
[heptakis-6-sulfato-b-cyclodextrin (HSbCD)](1).[L-Phe-L-Phe]	1.28	1.00	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-Phe]	2.54				Capillary electrophoresis	Bezhan Chankvetadze 2004
[heptakis(2,3-di-O-acetyl-6-sulfo)-b-CD](1).[L-Phe-L-Phe]	2.54	1.68	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-Phe]	1.80	0.70	5.3	20.0	Capillary electrophoresis	Gerhard K. E. Scriba 2003

L-Phe-L-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
312.36	5	3	2.46				SF_C682	None		Not checked

SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

L-Phe-L-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
312.36	5	3	2.46				SF_C694	None		Not checked

SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

L-PheGly

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1757	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-PheGly ]	1.15	-0.15	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[b-Cyclodextrin](1).[L-PheGly ]	1.76	0.54	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[L-PheGly ]	1.20		7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[L-PheGly ]	1.34	0.30	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994

L-PheO-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C74	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-PheO-]	15.68			25.0	Potentiometric titration	Rosangela Marchelli, Enrico Rizzarelli 1994

L-Phenylalanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
165.19	3	2	1.34				SF_C922	None		Not checked

SMILES: N[C@@H](Cc1ccccc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[L-Phenylalanine]	1.41		7.6	27.0	NMR spectroscopy	Pornthep Sompornpisut 2002

L-Phenylalanine anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
164.18	2	1	0.01				nt0788	None		Not checked

SMILES: N[C@@H](Cc1ccccc1)C([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-Phenylalanine anion]	1.09			25.0		Kenneth A. Connors 1995

L-Phenylalanine methyl ester

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
179.22	3	1	1.43				nt0789	None		Not checked

SMILES: COC(=O)[C@@H](N)Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-Phenylalanine methyl ester]	1.28			25.0		Kenneth A. Connors 1995

L-Pro-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0066	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[L-Pro-b-CD](1).[ammonium 8-anilino-1-naphthalenesulfonate]	2.29		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2000
[L-Pro-b-CD](1).[Rhodamine B]	3.20		7.2	25.0	Fluorescence spectroscopy	Yu Liu 2000

L-Serine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
105.09	4	3	-0.91				SF_C907	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-[6-(mtoluidinyl)-6-deoxy]-b-cyclodextrin](1).[L-Serine]	2.50		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin](1).[L-Serine]	2.51		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997

L-Trp-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0174	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[L-Trp-b-CD](1).[1-adamantanol]	3.67	7.2	25.0	spectrofluorometric titration	Yu Liu 1999
[L-Trp-b-CD](1).[2-adamantanol]	4.14	7.2	25.0	spectrofluorometric titration	Yu Liu 1999
[L-Trp-b-CD](1).[cyclooctanol]	3.07	7.2	25.0	spectrofluorometric titration	Yu Liu 1999
[L-Trp-b-CD](1).[cycloheptanol]	2.66	7.2	25.0	spectrofluorometric titration	Yu Liu 1999
[L-Trp-b-CD](1).[cycloheptanol]	2.65	7.2	25.0	spectropolarimetric titration	Yu Liu 1999
[L-Trp-b-CD](1).[cyclohexanol]	1.99	7.2	25.0	spectropolarimetric titration	Yu Liu 1999
[L-Trp-b-CD](1).[cyclopentanol]	1.78	7.2	25.0	spectropolarimetric titration	Yu Liu 1999
[L-Trp-b-CD](1).[(+)-borneol]	3.29	7.2	25.0	spectrofluorometric titration	Yu Liu 1999
[L-Trp-b-CD](1).[(-)-borneol]	3.38	7.2	25.0	spectrofluorometric titration	Yu Liu 1999
[L-Trp-b-CD](1).[(+)-menthol]	2.63	7.2	25.0	spectrofluorometric titration	Yu Liu 1999
[L-Trp-b-CD](1).[(-)-menthol]	2.91	7.2	25.0	spectrofluorometric titration	Yu Liu 1999
[L-Trp-b-CD](1).[nerol]	2.30	7.2	25.0	spectrofluorometric titration	Yu Liu 1999
[L-Trp-b-CD](1).[geraniol]	2.58	7.2	25.0	spectrofluorometric titration	Yu Liu 1999
[L-Trp-b-CD](1).[1-hexanol]	1.48	7.2	25.0	spectropolarimetric titration	Yu Liu 1999

L-TrpGly

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1760	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-TrpGly ]	1.32	0.04	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[b-Cyclodextrin](1).[L-TrpGly ]	1.72	0.18	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[L-TrpGly ]	1.59	0.20	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[L-TrpGly ]	1.70	0.58	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994

L-Tryptophan

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
204.23	3	3	1.82				SF_C920	None		Not checked

SMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[L-Tryptophan]	1.80	7.2	25.0	Fluorometric titrations	Yu Liu 2001
[b-cyclodextrin 6-O-mono(3-pyridinecarboxylate)](1).[L-Tryptophan]	3.54	7.2	25.0	Fluorometric titrations	Yu Liu 2001
[b-cyclodextrin 6-O-mono(4-pyridine-carboxylate)](1).[L-Tryptophan]	3.70	7.2	25.0	Fluorometric titrations	Yu Liu 2001
[b-cyclodextrin 6-O-mono(benzoate)](1).[L-Tryptophan]	3.26	7.2	25.0	Fluorometric titrations	Yu Liu 2001

L-TyrO-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C76	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-TyrO-]	14.82			25.0	Potentiometric titration	Rosangela Marchelli, Enrico Rizzarelli 1994