OpenMolDB

Igepal CO-720

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
308.46	3	1	4.37				SF_C1472	None		Not checked

SMILES: CCCCCCCCCc1ccc(OCCOCCO)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Igepal CO-720 ]	3.71		5.0	25.0	Calorimetric titrations	H.-J. Buschmann 2000
[b-Cyclodextrin](1).[Igepal CO-720 ]	4.91		5.0	25.0	Calorimetric titrations	H.-J. Buschmann 2000

Imidazole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
68.08	1	1	0.41				nt0473	None		Not checked

SMILES: [nH]1ccnc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Imidazole]	1.21			25.0		Kenneth A. Connors 1995

Imidazole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
68.08	1	1	0.41				nt0474	None		Not checked

SMILES: [nH]1ccnc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Imidazole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
68.08	1	1	0.41				nt1404	None		Not checked

SMILES: [nH]1ccnc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Imidazole]	0.28			25.0		Kenneth A. Connors 1995

Imipramin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
280.41	2	0	3.94				nt0475	None		Not checked

SMILES: CN(C)CCCN1c2ccccc2CCc3ccccc13

Supramolecules

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

Imipramine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
280.41	2	0	3.94				nt1405	None		Not checked

SMILES: CN(C)CCCN1c2ccccc2CCc3ccccc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Imipramine]	3.94			25.0		Kenneth A. Connors 1995

Indole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	0	1	2.17				nt0476	None		Not checked

SMILES: [nH]1ccc2ccccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Indole]	0.30			25.0		Kenneth A. Connors 1995

Indole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	0	1	2.17				nt0477	None		Not checked

SMILES: [nH]1ccc2ccccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Indole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	0	1	2.17				nt1406	None		Not checked

SMILES: [nH]1ccc2ccccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Indole]	2.26			25.0		Kenneth A. Connors 1995
[b-Cyclodextrin](1).[Indole]	2.23	1.08	7.0	18.0	HPLC-method	Arantza Zornoza 2005

Indole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
117.15	0	1	2.17				SF_C171	None		Not checked

SMILES: [nH]1ccc2ccccc12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Indomethacin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
357.79	4	1	3.93				nt0478	None		Not checked

SMILES: COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Indomethacin]	2.04			25.0		Kenneth A. Connors 1995

Indomethacin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
357.79	4	1	3.93				nt1407	None		Not checked

SMILES: COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Indomethacin]	2.72			25.0		Kenneth A. Connors 1995

Indomethacin anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
356.78	3	0	2.59				nt1408	None		Not checked

SMILES: CC1=C(C2=C(N1C(C3=CC=C(Cl)C=C3)=O)C=CC(OC)=C2)CC([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Indomethacin anion]	2.72			25.0		Kenneth A. Connors 1995

Iodate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1409	None

SMILES: O=I([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Iodate anion]	0.00			25.0		Kenneth A. Connors 1995

Iodide anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt0479	None

SMILES: [I-]

Supramolecules

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