OpenMolDB

L-Valine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	3	2	0.75				SF_C909	None		Not checked

SMILES: CC(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-Valine]	3.44		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997
[mono-[6-[(9-fluorenyl)alkylamino]-6-deoxy]-b-cyclodextrin](1).[L-Valine]	2.82		7.2	22.0	Fluorescence spectroscopy	Yu Liu 1997

L-alanin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
89.09	3	2	0.12				SF_C487	None		Not checked

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

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[mono(6-phenylseleno-6-deoxy)-β-cyclodextrin](1).[L-alanin]	1.96	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono(2-phenylseleno-2-deoxy)-β-cyclodextrin](1).[L-alanin]	2.07	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono[6-(p-methoxyphenylseleno)-6-deoxy]-β-cyclodextrin](1).[L-alanin]	2.37	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono[2-(p-methoxyphenylseleno)-2-deoxy]-β-cyclodextrin](1).[L-alanin]	2.06	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003

L-alanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
89.09	3	2	0.12				NT_b0133	None		Not checked

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

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-alanine]	3.37	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-alanine]	3.14	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-alanine]	3.03	7.2	25.0	Calorimetry	Yu Liu 1998
[mono-(6-anilino-6-deoxy)-b-cyclodextrin](1).[L-alanine]	3.62	7.2	25.0	Calorimetry	Yu Liu 1998

L-alanine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
89.09	3	2	0.12				JN_317	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(diphenoxyphosphoryl)]-b-cyclodextrin](1).[L-alanine]	2.34		7.2	25.0	UV-vis spectroscopy	Yu Liu 1997
[mono[6-O-(ethoxyhydroxyphosphoryl)]-b-cyclodextrin](1).[L-alanine]	2.37		7.2	25.0	UV-vis spectroscopy	Yu Liu 1997

L-ascorbic acid 2-[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-tridecyl)-2H-1-benzopyran-6-yl-hydrogen phosphate] potassium salt

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
707.89	10	4	7.15				SF_C919	None		Not checked

SMILES: [O-]C([C@H](O1)[C@H](CO)O)=C(OP(O[H]C2=C(C)C(C)=C3C(CCC(CCCC(C)CCCC(C)CCCC(C)C)(C)O3)=C2C)(O)=O)C1=O.[K+]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[L-ascorbic acid 2-[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-tridecyl)-2H-1-benzopyran-6-yl-hydrogen phosphate] potassium salt]	3.35		7.0	25.0	NMR spectroscopy	Kaneto Uekama 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](2).[L-ascorbic acid 2-[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-tridecyl)-2H-1-benzopyran-6-yl-hydrogen phosphate] potassium salt]	2.54		7.0	25.0	NMR spectroscopy	Kaneto Uekama 1999

L-aspartic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
133.10	5	3	-0.43				NT_b0142	None		Not checked

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

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-aspartic acid]	3.65	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-aspartic acid]	3.61	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-aspartic acid]	3.58	7.2	25.0	Calorimetry	Yu Liu 1998
[mono-(6-anilino-6-deoxy)-b-cyclodextrin](1).[L-aspartic acid]	4.04	7.2	25.0	Calorimetry	Yu Liu 1998

L-aspartic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
133.10	5	3	-0.43				JN_326	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(diphenoxyphosphoryl)]-b-cyclodextrin](1).[L-aspartic acid]	2.56		7.2	25.0	UV-vis spectroscopy	Yu Liu 1997

L-cysteine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
121.16	4	3	0.03				NT_b0141	None		Not checked

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

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[L-cysteine]	2.99	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-cysteine]	2.43	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-cysteine]	2.69	7.2	25.0	Calorimetry	Yu Liu 1998
[mono-(6-anilino-6-deoxy)-b-cyclodextrin](1).[L-cysteine]	2.65	7.2	25.0	Calorimetry	Yu Liu 1998

L-cysteine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
121.16	4	3	0.03				JN_252	None		Not checked

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

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[L-cysteine]	0.00	9.88	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[mono[6-O-(diphenoxyphosphoryl)]-b-cyclodextrin](1).[L-cysteine]	2.52	7.2	25.0	UV-vis spectroscopy	Yu Liu 1997
[mono[6-O-(ethoxyhydroxyphosphoryl)]-b-cyclodextrin](1).[L-cysteine]	2.43	7.2	25.0	UV-vis spectroscopy	Yu Liu 1997

L-cystine bridged bis-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0063	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[L-cystine bridged bis-b-CD](2).[sodium 6-(p-toluidino)-2-naphthalenesulfonate]	4.00	7.2	25.0	Fluorescence spectroscopy	Liu Yu 2004
[L-cystine bridged bis-b-CD](2).[ammonium 8-anilino-1-naphthalenesulfonate]	2.64	7.2	25.0	Fluorescence spectroscopy	Liu Yu 2004
[L-cystine bridged bis-b-CD](2).[acridine red]	3.51	7.2	25.0	Fluorescence spectroscopy	Liu Yu 2004
[L-cystine bridged bis-b-CD](2).[neutral red]	3.67	7.2	25.0	Fluorescence spectroscopy	Liu Yu 2004

L-epinephrine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
183.20	4	4	0.74				SF_C645	None		Not checked

SMILES: CNC[C@H](O)c1ccc(O)c(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Sulfated-b-Cyclodextrin](1).[L-epinephrine]	2.95	2.31	7.4	25.0	Microchip-affinity capillary electrophoresis	Maria A. Schwarz 2005
[Sulfated-b-Cyclodextrin](1).[L-epinephrine]	3.27		7.4	25.0	Affinity capillary electrophoresis	Maria A. Schwarz 2005
[Sulfated-b-Cyclodextrin](1).[L-epinephrine]	3.62		6.0	25.0	Microchip-affinity capillary electrophoresis	Maria A. Schwarz 2005
[Sulfated-b-Cyclodextrin](1).[L-epinephrine]	3.27		8.0	25.0	Microchip-affinity capillary electrophoresis	Maria A. Schwarz 2005
[Sulfated-b-Cyclodextrin](1).[L-epinephrine]	3.43		9.0	25.0	Microchip-affinity capillary electrophoresis	Maria A. Schwarz 2005

L-glutamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
147.13	5	3	-0.04				NT_b0147	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-glutamic acid]	2.88		7.2	25.0	Calorimetry	Yu Liu 1998
[mono-(6-anilino-6-deoxy)-b-cyclodextrin](1).[L-glutamic acid]	4.17		7.2	25.0	Calorimetry	Yu Liu 1998

L-glutamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
147.13	5	3	-0.04				JN_327	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(diphenoxyphosphoryl)]-b-cyclodextrin](1).[L-glutamic acid]	2.40		7.2	25.0	UV-vis spectroscopy	Yu Liu 1997

L-histidine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
155.15	4	3	0.06				JN_11	None		Not checked

SMILES: N[C@@H](Cc1c[nH]cn1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-histidine]	3.95		7.0	25.0	microcalorimetry	Giuseppina Castronuovo 1995
[a-Cyclodextrin](1).[L-histidine]	4.08		11.3	25.0	microcalorimetry	Giuseppina Castronuovo 1995

L-histidine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
155.15	4	3	0.06				JN_325	None		Not checked

SMILES: N[C@@H](Cc1c[nH]cn1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-O-(diphenoxyphosphoryl)]-b-cyclodextrin](1).[L-histidine]	3.26		7.2	25.0	UV-vis spectroscopy	Yu Liu 1997