OpenMolDB

Dicyclomine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
309.49	3	0	4.40				nt0272	None		Not checked

SMILES: CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Dicyclomine]	2.45			25.0		Kenneth A. Connors 1995

Dicyclomine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
309.49	3	0	4.40				nt1171	None		Not checked

SMILES: CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Dicyclomine]	4.98			25.0		Kenneth A. Connors 1995

Diethylethylphosphonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.16	3	0	2.27				nt0274	None		Not checked

SMILES: CCO[P](=O)(CC)OCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Diethylethylphosphonate]	1.83			25.0		Kenneth A. Connors 1995

Diethylethylphosphonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.16	3	0	2.27				nt1900	None		Not checked

SMILES: CCO[P](=O)(CC)OCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Diethylethylphosphonate]	1.45			25.0		Kenneth A. Connors 1995

Difenzoquat

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
360.43	3	0	3.36				nt1177	None		Not checked

SMILES: CO[S]([O-])(=O)=O.Cn1c(cc(c2ccccc2)[n+]1C)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Difenzoquat]	1.91			25.0		Kenneth A. Connors 1995

Difenzoquat

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
360.43	3	0	3.36				nt1178	None		Not checked

SMILES: CO[S]([O-])(=O)=O.Cn1c(cc(c2ccccc2)[n+]1C)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Diflunisal anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0276	None

SMILES:

Supramolecules

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

Diflunisal anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1179	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Diflunisal anion]	5.26			25.0		Kenneth A. Connors 1995

Diflunisal anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1901	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Diflunisal anion]	4.74			25.0		Kenneth A. Connors 1995

Dihydroartemisinin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
284.35	5	1	2.19				SF_C1776	None		Not checked

SMILES: C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3OC4(C)CC[C@@H]1[C@@]23OO4

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Dihydroartemisinin]	2.61		7.4	28.0	HPLC-method	Christy M. Wyandt 2003

Dimethylsulfoxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
78.13	1	0	0.86				nt0339	None		Not checked

SMILES: C[S](C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Dimethylsulfoxide]	-0.39			25.0		Kenneth A. Connors 1995

Dimethylsulfoxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
78.13	1	0	0.86				nt1222	None		Not checked

SMILES: C[S](C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Dimethylsulfoxide]	0.11			25.0		Kenneth A. Connors 1995

Dinitrophenyl-D-leucine anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
296.26	4	0	1.50				nt1225	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Dinitrophenyl-D-leucine anion]	2.94			25.0		Kenneth A. Connors 1995

Dinitrophenyl-D-leucine anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
296.26	4	0	1.50				nt1226	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Dinitrophenyl-D-leucine anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
296.26	4	0	1.50				nt1227	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref