OpenMolDB

decane-1,10-diol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
174.28	2	2	2.09				SF_C1443	None		Not checked

SMILES: OCCCCCCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[decane-1,10-diol]	3.19	2.53	7.0	25.0	Calorimetry	Giuseppina Castronuovo 1998
[a-Cyclodextrin](1).[decane-1,10-diol]	3.16	2.68	11.3	25.0	Calorimetry	Giuseppina Castronuovo 1998

decanesulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
221.34	2	0	3.75				SF_C721	None		Not checked

SMILES: CCCCCCCCCC[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[decanesulfonate]	3.50	2.58	7.0	25.0	Reverse-phase liquid chromatography	Robert E. Synovec 1999
[b-Cyclodextrin](1).[decanesulfonate]	3.68	3.10	7.0	25.0	Flow injection analysis with dynamic surface tension detection	Robert E. Synovec 1999

decanoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
171.26	1	0	1.88				VR_C29	None		Not checked

SMILES: CCCCCCCCCC([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[decanoate ]	3.41	2.30	10.5	25.0	UV/VIS spectroscopy	Bruno Szpoganicz 2001
[g-Cyclodextrin](1).[decanoate ]	2.40	1.70	10.5	25.0	UV/VIS spectroscopy	Bruno Szpoganicz 2001

decanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
172.26	2	1	3.21				SF_C1429	None		Not checked

SMILES: CCCCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[decanoic acid]	2.40	0.78	11.3	25.0	Calorimetry	Giuseppina Castronuovo 1998

decanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
172.26	2	1	3.21				SF_C473	None		Not checked

SMILES: CCCCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[decanoic acid]	2.93		7.0	50.0	NMR spectroscopy	Jose J. C. Teixeira-Dias 2004

decanoic acid (bent form)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_35	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[decanoic acid (bent form)]	5.40	3.78	11.3	25.0	calorimetry	Giuseppina Castronuovo 1996

decyldimethylbenzylammonium bromide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
356.38	0	0	2.41				SF_C1654	None		Not checked

SMILES: [Br-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[decyldimethylbenzylammonium bromide]	3.83	2.39		25.0	UV-vis spectroscopy	B. Tutaj 2005

decylsulfonate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
221.34	2	0	3.75				SF_C804	None		Not checked

SMILES: CCCCCCCCCC[S]([O-])(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-cyclodextrin-based molecular tube](0.5).[decylsulfonate]	4.67	2.70	7.0	25.0	isothermal titration calorimetry	Nobuhiko Yui 2001

deltamethrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
505.20	4	0	6.49				JN_199	None		Not checked

SMILES: CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[deltamethrin]	2.80	2.02	11.0	20.0	fluorescence spectroscopy, photochemically induced fluorescence method	Jean-Jacques Aaron 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[deltamethrin]	2.92	2.09	11.0	20.0	fluorescence spectroscopy, photochemically induced fluorescence method	Jean-Jacques Aaron 1998

deoxycholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
391.56	3	2	3.14				SF_C496	None		Not checked

SMILES: 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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[N,N’-Bis(2-aminoethyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridged bis-b-CD](2).[deoxycholate]	4.34		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003

deoxycholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
391.56	3	2	3.14				SF_C504	None		Not checked

SMILES: 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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[BCD derivate](1).[deoxycholate]	3.42		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004
[2,2’-Biquinoline-4,4’-dicarboxy-bridged bis(6-O-b-CyD)](1).[deoxycholate]	3.45		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004
[N,N’-Bis(2-aminoethyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridged bis-b-CD](1).[deoxycholate]	4.34		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004
[N,N’-Bis(5-amino-3-azapentyl)-2,2’-biquinoline-4,4’-dicarboxamide-bridgedbis(6-amino-6-deoxy-b-CyD)](1).[deoxycholate]	3.57		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004
[Bis(b-CyD)-CuII complex](1).[deoxycholate]	5.72		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004

deoxycholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
391.56	3	2	3.14				SF_C506	None		Not checked

SMILES: 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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Bridged bis(b-CD)](1).[deoxycholate]	3.69	1.20	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004

deoxycholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
391.56	3	2	3.14				SF_C845	None		Not checked

SMILES: 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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[deoxycholate]	3.69	1.20	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono-(6-amino-6-deoxy)-b-CD](1).[deoxycholate]	3.89	0.48	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono(6-carboxymethylamino-6-deoxy)-b-CD](1).[deoxycholate]	3.61	1.18	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono[6-(R(-))-1-hydroxymethylpropylamino)-6-deoxy]-b-CD](1).[deoxycholate]	3.97	2.24	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003

deoxycholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
391.56	3	2	3.14				SF_C974	None		Not checked

SMILES: 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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono[6-(9-anthrylformamido)ethyleneamino-6-deoxy]-b-cyclodextrin](1).[deoxycholate]	4.18	2.63	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004
[mono[6-(9-anthrylformamido)diethylenediamino-6-deoxy]-b-cyclodextrin](1).[deoxycholate]	4.35	1.18	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004
[mono[6-(9-anthrylformamido)triethylenetriamino-6-deoxy]-b-cyclodextrin](1).[deoxycholate]	4.13	2.06	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004

deoxycholic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.57	4	3	4.48				NT_a0024	None		Not checked

SMILES: 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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[deoxycholic acid]	3.13		8.3	25.0	Absorption spectroscopy	Ueno, Akihiko 1997