OpenMolDB

Heptakis(2,6-di-O-nButyl)-b-Cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					CY-2016.0	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,6-di-O-nButyl)-b-Cyclodextrin](1).[cetyltrimethylammonium chloride]	8.90		12.0	20.0	fluorescence spectroscopy	Ru-Qin Yu 2005

Heptakis(2-O-methyl)-β-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0170	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[Heptakis(2-O-methyl)-β-cyclodextrin](1).[tetrakis(4-sulfonato)-tetraphenylporphyrin]	5.94	7.0	25.0	Microcalorimetry	Jurriaan Huskens 2001
[Heptakis(2-O-methyl)-β-cyclodextrin](2).[tetrakis(4-sulfonato)-tetraphenylporphyrin]	5.04	7.0	25.0	Microcalorimetry	Jurriaan Huskens 2001
[Heptakis(2-O-methyl)-β-cyclodextrin](4).[p-Tert-butylbenzyl-functionalized p-pyridylporphyrins]	3.93	7.0	25.0	Microcalorimetry	Jurriaan Huskens 2001
[Heptakis(2-O-methyl)-β-cyclodextrin](4).[p-Tert-butylbenzyl-functionalized m-pyridylporphyrins]	4.20	7.0	25.0	Microcalorimetry	Jurriaan Huskens 2001

Heptakis(6-O-sulfo-2,3-di-O-hexanoyl)cyclomaltoheptaose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0171	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(6-O-sulfo-2,3-di-O-hexanoyl)cyclomaltoheptaose](1).[acyclovir]	3.02		7.0	22.0	UV-vis spectroscopy	Helene Parrot-Lopez 2003

Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0016	None

SMILES:

Supramolecules

Name	log K	SD	Method	Ref
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[2,3-dihydroxinaphtalene]	2.45	1.54	SPR experiments	Michael J. Sepaniak 2003
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[2,7-dihydroxinaphtalene]	2.02	1.18	SPR experiments	Michael J. Sepaniak 2003
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[benzene]	1.30	1.04	SPR experiments	Michael J. Sepaniak 2003
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[benzoic acid]	0.85	0.30	SPR experiments	Michael J. Sepaniak 2003
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[phenol]	1.38	0.60	SPR experiments	Michael J. Sepaniak 2003
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[ephedrine]	0.60		SPR experiments	Michael J. Sepaniak 2003
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[tolazoline]	0.60		SPR experiments	Michael J. Sepaniak 2003

Heptakis{6-deoxy-6-[12-(thiododecyl)undecanamido]}-b-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0315	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis{6-deoxy-6-[12-(thiododecyl)undecanamido]}-b-cyclodextrin](1).[1-anilinonaphthalene-8-sulfonic acid]	5.46	4.11	7.0	25.0	Electrochemical impedance measurements	David N. Reinhoudt 2000

Heptanedioic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
160.17	4	2	1.11				SF_C1379	None		Not checked

SMILES: OC(=O)CCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Heptanedioic acid]	1.38		11.3	25.0	Calorimetry	Giuseppina Castronuovo 1997

Heptanedioic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
160.17	4	2	1.11				SF_C1386	None		Not checked

SMILES: OC(=O)CCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Heptanedioic acid ]	2.86	0.70	1.3	25.0	Calorimetry	Giuseppina Castronuovo 1997

Heptanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
130.18	2	1	2.04				SF_C987	None		Not checked

SMILES: CCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Heptanoic acid ]	2.43	1.00	11.3	25.0	Calorimetry	Giuseppina Castronuovo 2005

Heptyl sulfit ion (HeptSO3-)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_235	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Heptyl sulfit ion (HeptSO3-)]	2.64			25.0	conductometry	Oswald S.Tee 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Heptyl sulfit ion (HeptSO3-)]	2.47	1.37	11.6	25.0	inhibition kinetics method	Oswald S.Tee 1996

Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					CY-1003	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[L-tryptophan]	2.53	1.63	8.0	18.0	UV-vis spectroscopy	Andrzej Temeriusz 2006
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[R-19-T5]	1.36	0.48				George W. Gokel 2003
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[S-19-T5]	1.43	0.60				George W. Gokel 2003
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[R-21-T5]	1.53	0.30				George W. Gokel 2003
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[S-21-T5]	1.53	0.30				George W. Gokel 2003
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[R-22-T5]	2.44	1.15				George W. Gokel 2003
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[S-22-T5]	2.38	1.18				George W. Gokel 2003
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[R-23-T5]	2.75	1.76				George W. Gokel 2003
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[S-23-T5]	2.62	1.63				George W. Gokel 2003
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[R-C8]	1.34	0.30	7.0	25.0	NMR spectroscopy	George W. Gokel 2003
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[S-C8]	1.08	0.30	7.0	25.0	NMR spectroscopy	George W. Gokel 2003
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[R-C1]	1.63	0.60	7.0	25.0	NMR spectroscopy	George W. Gokel 2003
[Hexakis(2,3,6-tri-O-Methyl)-a-Cyclodextrin](1).[S-C1]	1.57	0.60	7.0	25.0	NMR spectroscopy	George W. Gokel 2003

Hexakis(6-O-sulfo-2,3-di-O-hexanoyl)cyclomaltohexaose

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0172	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Hexakis(6-O-sulfo-2,3-di-O-hexanoyl)cyclomaltohexaose](1).[acyclovir]	2.95		7.0	25.0	UV-vis spectroscopy	Helene Parrot-Lopez 2003

Hexanedioic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
146.14	4	2	0.72				SF_C1385	None		Not checked

SMILES: OC(=O)CCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Hexanedioic acid ]	2.45	0.70	1.3	25.0	Calorimetry	Giuseppina Castronuovo 1997

Hexanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.16	2	1	1.65				SF_C986	None		Not checked

SMILES: CCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Hexanoic acid]	1.53	0.95	11.3	25.0	Calorimetry	Giuseppina Castronuovo 2005

Hexobarbital

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.27	5	1	1.47				nt0439	None		Not checked

SMILES: CN1C(=O)NC(=O)C(C)(C1=O)C2=CCCCC2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Hexobarbital]	2.34			25.0		Kenneth A. Connors 1995

Hexobarbital

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
236.27	5	1	1.47				nt1361	None		Not checked

SMILES: CN1C(=O)NC(=O)C(C)(C1=O)C2=CCCCC2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Hexobarbital]	3.11			25.0		Kenneth A. Connors 1995