OpenMolDB

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
218.16	2	0	-1.17				SF_C1183	None		Not checked

SMILES: O=C(CCCCCCC([O-])=O)[O-].[Na+].[Na+]

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[sodium a,w-hexyl dicarboxylate]	1.68	1.34	10.5	25.0	Apparent molar volume measurements	Ronald E. Verrall 2000
[a-Cyclodextrin](1).[sodium a,w-hexyl dicarboxylate]	2.48	2.18	10.5	25.0	Apparent molar volume measurements	Ronald E. Verrall 2000
[a-Cyclodextrin](1).[sodium a,w-hexyl dicarboxylate]	2.21	0.48				Ronald E. Verrall 2000

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
246.21	2	0	-0.39				SF_C1184	None		Not checked

SMILES: O=C(CCCCCCCCC([O-])=O)[O-].[Na+].[Na+]

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[sodium a,w-octyl dicarboxylate]	2.71	2.20	10.5	25.0	Apparent molar volume measurements	Ronald E. Verrall 2000
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[sodium a,w-octyl dicarboxylate]	1.94	1.59	10.5	25.0	Apparent molar volume measurements	Ronald E. Verrall 2000
[a-Cyclodextrin](1).[sodium a,w-octyl dicarboxylate]	2.79	2.20	10.5	25.0	Apparent molar volume measurements	Ronald E. Verrall 2000
[a-Cyclodextrin](1).[sodium a,w-octyl dicarboxylate]	3.18	1.36				Ronald E. Verrall 2000

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
430.55	4	3	2.11				SF_C1662	None		Not checked

SMILES: [Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Name	log K	pH	T(°C)	Method	Ref
[6,6’-[2,2’-oxamidobis(benzoylamino)]ethyleneamino-6,6’-deoxy-bis(b-CD)](1).[sodium cholate]	4.27	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[6,6’-[2,2’-oxamidobis(benzoylamino)]diethylenediamino-6,6’-deoxy-bis(b-CD)](1).[sodium cholate]	3.91	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[6,6’-[4,4’-oxamidobis(benzoylamino)]ethyleneamino-6,6’-deoxy-bis(b-CD)](1).[sodium cholate]	4.08	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[6,6’-[4,4’-oxamidobis(benzoylamino)]-diethylenediamino-6,6’-deoxy- bis(b-CD)](1).[sodium cholate]	3.95	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[metallobis(b-CD) derivaive 6](0.5).[sodium cholate]	7.76	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[metallobis(b-CD) derivaive 7](0.5).[sodium cholate]	8.00	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[metallobis(b-CD) derivaive 8](0.5).[sodium cholate]	7.60	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[metallobis(b-CD) derivaive 9](0.5).[sodium cholate]	7.47	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
430.55	4	3	2.11				SF_C966	None		Not checked

SMILES: [Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[sodium cholate]	3.58		7.4	25.0	Isothermal titration calorimetry	Yu Liu 2005
[b-CD dimers Se1-Se4 bearing 2,2'-diselenobis(benzoyl) tether der. SE3](1).[sodium cholate]	3.61	2.30	7.4	25.0	Isothermal titration calorimetry	Yu Liu 2005
[b-CD dimers Se1-Se4 bearing 2,2'-diselenobis(benzoyl) tether der. SE4](1).[sodium cholate]	3.70	1.30	7.4	25.0	Isothermal titration calorimetry	Yu Liu 2005
[b-CD dimers Py1-Py4 bearing 2,2'-bipyridine-4,4'-dicarboxy tether der. 2](1).[sodium cholate]	4.10	2.30	7.4	25.0	Isothermal titration calorimetry	Yu Liu 2005
[b-CD dimers Py1-Py4 bearing 2,2'-bipyridine-4,4'-dicarboxy tether der. 3](1).[sodium cholate]	4.09	2.48	7.4	25.0	Isothermal titration calorimetry	Yu Liu 2005
[b-CD dimers Py1-Py4 bearing 2,2'-bipyridine-4,4'-dicarboxy tether der. 4](1).[sodium cholate]	3.83	2.30	7.4	25.0	Isothermal titration calorimetry	Yu Liu 2005

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
194.25	1	0	1.88				SF_C176	None		Not checked

SMILES: [Na+].CCCCCCCCCC([O-])=O

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[sodium decanoate]	3.04	2.78	7.0	20.0	NMR spectroscopy	Gustavo González-Gaitano 2004
[b-Cyclodextrin](1).[sodium decanoate]	3.36	2.78	7.0	25.0	NMR spectroscopy	G. Tardajos 1999
[g-Cyclodextrin](1).[sodium decanoate]	1.48	0.85	7.0	20.0	NMR spectroscopy	Gustavo González-Gaitano 2004

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
194.25	1	0	1.88				SF_C751	None		Not checked

SMILES: [Na+].CCCCCCCCCC([O-])=O

Name	log K	SD	pH	T(°C)	Method	Ref

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
260.33	3	0	3.68				SF_C1749	None		Not checked

SMILES: [Na+].CCCCCCCCCCO[S]([O-])(=O)=O

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[sodium decyl sulfate]	3.35	2.18	7.0	25.0	NMR spectroscopy	Qing-Xiang Guo 1994

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
414.55	3	2	3.14				SF_C1663	None		Not checked

SMILES: [Na+].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]3C[C@H](O)[C@]12C

Name	log K	pH	T(°C)	Method	Ref
[6,6’-[2,2’-oxamidobis(benzoylamino)]ethyleneamino-6,6’-deoxy-bis(b-CD)](1).[sodium deoxycholate]	4.09	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[6,6’-[4,4’-oxamidobis(benzoylamino)]ethyleneamino-6,6’-deoxy-bis(b-CD)](1).[sodium deoxycholate]	4.06	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[6,6’-[4,4’-oxamidobis(benzoylamino)]-diethylenediamino-6,6’-deoxy- bis(b-CD)](1).[sodium deoxycholate]	3.27	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[metallobis(b-CD) derivaive 6](0.5).[sodium deoxycholate]	7.31	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[metallobis(b-CD) derivaive 7](0.5).[sodium deoxycholate]	7.54	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[metallobis(b-CD) derivaive 8](0.5).[sodium deoxycholate]	7.58	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006
[metallobis(b-CD) derivaive 9](0.5).[sodium deoxycholate]	6.79	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2006

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
414.55	3	2	3.14				SF_C967	None		Not checked

SMILES: [Na+].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]3C[C@H](O)[C@]12C