OpenMolDB

L-tyrosine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.19	4	3	1.05				JN_254	None		Not checked

SMILES: N[C@@H](Cc1ccc(O)cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

L-tyrosine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
181.19	4	3	1.05				SF_C1830	None		Not checked

SMILES: N[C@@H](Cc1ccc(O)cc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[L-tyrosine ]	1.43	0.48	7.0	20.0	Fluorescence spectroscopy	Frank V. Bright 1996
[a-Cyclodextrin](1).[L-tyrosine ]	1.36	0.60	10.0	20.0	Fluorescence spectroscopy	Frank V. Bright 1996
[b-Cyclodextrin](1).[L-tyrosine ]	1.68	0.70	7.0	20.0	Fluorescence spectroscopy	Frank V. Bright 1996

L-valin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	3	2	0.75				SF_C493	None		Not checked

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

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[mono(2-phenylseleno-2-deoxy)-β-cyclodextrin](1).[L-valin]	1.77	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono[6-(p-methoxyphenylseleno)-6-deoxy]-β-cyclodextrin](1).[L-valin]	1.79	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003
[mono[2-(p-methoxyphenylseleno)-2-deoxy]-β-cyclodextrin](1).[L-valin]	1.85	7.2	25.0	UV-vis spectroscopy	Yu Liu 2003

L-valine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	3	2	0.75				NT_b0135	None		Not checked

SMILES: CC(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-valine]	3.56	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-b-cyclodextrin](1).[L-valine]	3.65	7.2	25.0	Calorimetry	Yu Liu 1998
[mono[6-(1-pyridinio)-6-deoxy]-g-cyclodextrin](1).[L-valine]	3.46	7.2	25.0	Calorimetry	Yu Liu 1998
[mono-(6-anilino-6-deoxy)-b-cyclodextrin](1).[L-valine]	3.82	7.2	25.0	Calorimetry	Yu Liu 1998

L-valine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	3	2	0.75				JN_250	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[L-valine]	0.59	-0.64	9.88	25.0	displacement of a fluorescent probe	Oswald S.Tee 1996
[mono[6-O-(diphenoxyphosphoryl)]-b-cyclodextrin](1).[L-valine]	2.87		7.2	25.0	UV-vis spectroscopy	Yu Liu 1997

Lauryl hexaoxyethylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
296.53	1	0	7.41				NT_b0166	None		Not checked

SMILES: CCCCCCCCCCCCC(=C)OCCCCCC

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Lauryl hexaoxyethylene]	3.30	2.30	25.0	Titration microcalorimetry	Apryll M. Stalcup 2002
[a-Cyclodextrin](1.4).[Lauryl hexaoxyethylene]	5.81	4.90	25.0	Titration microcalorimetry	Apryll M. Stalcup 2002
[b-Cyclodextrin](1.5).[Lauryl hexaoxyethylene]	5.11	4.00	25.0	Titration microcalorimetry	Apryll M. Stalcup 2002
[b-Cyclodextrin](1.5).[Lauryl hexaoxyethylene]	4.30		25.0	capillar zone electrophoresis	Apryll M. Stalcup 2002

Lauryl sulfate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
265.39	3	0	4.46				nt0495	None		Not checked

SMILES: O=S([O-])(OCCCCCCCCCCCC)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Lauryl sulfate anion]	2.05			25.0		Kenneth A. Connors 1995

Lauryl sulfate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
265.39	3	0	4.46				nt1419	None		Not checked

SMILES: O=S([O-])(OCCCCCCCCCCCC)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Lauryl sulfate anion]	2.55			25.0		Kenneth A. Connors 1995

Lithocholic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
376.57	3	2	5.51				NT_c0263	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
[b-CD-peptide](1).[Lithocholic acid]	5.64	4.23	7.5	25.0	Fluorescence resonance energy transfer	Hisakazu Mihara 2003

Lorazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
321.16	4	2	2.67				nt0496	None		Not checked

SMILES: OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Lorazepam]	1.43			25.0		Kenneth A. Connors 1995

Lorazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
321.16	4	2	2.67				nt1420	None		Not checked

SMILES: OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Lorazepam]	2.51			25.0		Kenneth A. Connors 1995

Lorazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
321.16	4	2	2.67				nt1939	None		Not checked

SMILES: OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Lorazepam]	2.15			25.0		Kenneth A. Connors 1995

Lorazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
321.16	4	2	2.67				SF_C1732	None		Not checked

SMILES: OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Lorazepam ]	1.43	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983
[b-Cyclodextrin](1).[Lorazepam ]	2.51	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983
[g-Cyclodextrin](1).[Lorazepam ]	2.15	7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983

MA-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0067	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[MA-b-CD](1).[iodine]	1.66		7.0	25.0	Sodium thiosulfate titration	Lajos Szente 1999

MS-325

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
891.91	11	0	-4.49				SF_C18	None		Not checked

SMILES: [H+].[H+].[H+].C1CC(CCC1OP(=O)([O-])OC[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Gd+3]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[MS-325]	4.90		7.0	25.0	Proton Relaxation Enhancement Method	Silvio Aime 2006
[chitosan-b-CD].[MS-325]	5.49		7.0	25.0	Proton Relaxation Enhancement Method	Silvio Aime 2006