OpenMolDB

Maleic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.07	4	2	-0.29				nt0497	None		Not checked

SMILES: OC(=O)\C=C/C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Maleic acid]	1.39			25.0		Kenneth A. Connors 1995

Maleic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
115.06	3	1	-1.62				nt0498	None		Not checked

SMILES: O=C([O-])/C=C\C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Maleic acid anion]	1.88			25.0		Kenneth A. Connors 1995

Malonic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
104.06	4	2	-0.45				nt0499	None		Not checked

SMILES: OC(=O)CC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Malonic acid]	1.19			25.0		Kenneth A. Connors 1995

Malonic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
103.05	3	1	-1.79				nt0500	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Malonic acid anion]	1.51			25.0		Kenneth A. Connors 1995

Maprotilin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0505	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Maprotilin]	2.09			25.0		Kenneth A. Connors 1995

Maprotilin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1424	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Maprotilin]	3.68			25.0		Kenneth A. Connors 1995

Me-cyclohexane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C187	None

SMILES:

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Me-cyclohexane]	2.15	0.85	25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[Me-cyclohexane]	2.52	1.38	25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[Me-cyclohexane]	0.95	0.70	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Me-cyclohexane]	2.57	0.60	25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Me-cyclohexane]	2.40	0.30	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[Me-cyclohexane]	3.18	1.36	25.0	GC (SHSGC)	É. Fenyvesi 2005

Meclizine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
390.95	2	0	5.43				nt0506	None		Not checked

SMILES: Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Meclizine]	2.94			25.0		Kenneth A. Connors 1995

Meclizine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
390.95	2	0	5.43				nt1425	None		Not checked

SMILES: Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Meclizine]	3.35			25.0		Kenneth A. Connors 1995

Meclizine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
390.95	2	0	5.43				nt1940	None		Not checked

SMILES: Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Meclizine]	2.93			25.0		Kenneth A. Connors 1995

Meclizine 2HCl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
463.87	2	2	7.04				SF_C1796	None		Not checked

SMILES: CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Meclizine 2HCl]	2.54	1.35	7.0	25.0	Calorimetry	J. Keith Guillory 1991
[b-Cyclodextrin](1).[Meclizine 2HCl]	3.35	2.40	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[a-Cyclodextrin](1).[Meclizine 2HCl]	2.94	1.14	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[g-Cyclodextrin](1).[Meclizine 2HCl]	2.93	1.07	7.0	25.0	Calorimetry	Bradley D. Anderson 1993

Meclofenamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
296.15	3	2	4.82				nt1426	None		Not checked

SMILES: Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Meclofenamic acid]	2.67			25.0		Kenneth A. Connors 1995

Meclofenamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1427	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Meclofenamic acid anion]	2.81			25.0		Kenneth A. Connors 1995

Meclofenamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1428	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Medazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
270.76	2	0	3.13				nt0507	None		Not checked

SMILES: CN1CCN=C(c2ccccc2)c3cc(Cl)ccc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Medazepam]	1.66			25.0		Kenneth A. Connors 1995
[a-Cyclodextrin](1).[Medazepam]	1.66		7.0	25.0	UV-vis spectroscopy	M. Otagiri 1983