OpenMolDB

geraniol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	1	2.67				SF_C1324	None		Not checked

SMILES: CC(C)=CCC\C(C)=C\CO

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[geraniol]	2.82	7.2	25.0	Circular dichroism spectroscopy	Keith 0. Hodgson 1979
[azobenzene-capped b-cyclodextrin (cis)](1).[geraniol]	2.44	7.2	25.0	Circular dichroism spectroscopy	Keith 0. Hodgson 1979
[azobenzene-capped b-cyclodextrin (cis)](2).[geraniol]	2.54	7.2	25.0	Circular dichroism spectroscopy	Keith 0. Hodgson 1979

geraniol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
154.25	1	1	2.67				SF_C406	None		Not checked

SMILES: CC(C)=CCC\C(C)=C\CO

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[NC0-b-CD](1).[geraniol]	3.74	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC4-b-CD](1).[geraniol]	2.85	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005
[NC0-g-CD](1).[geraniol]	3.04	7.0	25.0	Fluorescence spectroscopy	Hiroshi Ikeda 2005

gliclazide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
323.41	6	2	3.43				SF_C756	None		Not checked

SMILES: Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2CC3CCCC3C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[gliclazide]	2.29		7.0	25.0	UV-vis spectroscopy	Hassan Y. Aboul-Enein 2000

gliquidone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
527.63	9	2	5.32				SF_C558	None		Not checked

SMILES: COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)[S](=O)(=O)NC(=O)NC4CCCCC4)C(=O)C2(C)C

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[gliquidone]	2.81	7.0	25.0	UV-vis spectroscopy	M.I. La Rotonda 2004
[b-Cyclodextrin](1).[gliquidone]	2.51	1.5	25.0	UV-vis spectroscopy	M.I. La Rotonda 2004
[b-Cyclodextrin](1).[gliquidone]	2.78	4.5	25.0	UV-vis spectroscopy	M.I. La Rotonda 2004
[b-Cyclodextrin](1).[gliquidone]	3.27	7.4	25.0	UV-vis spectroscopy	M.I. La Rotonda 2004
[b-Cyclodextrin](2).[gliquidone]	2.20	7.4	25.0	UV-vis spectroscopy	M.I. La Rotonda 2004
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[gliquidone]	2.60	7.0	25.0	UV-vis spectroscopy	M.I. La Rotonda 2004
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[gliquidone]	2.54	1.5	25.0	UV-vis spectroscopy	M.I. La Rotonda 2004
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[gliquidone]	3.12	4.5	25.0	UV-vis spectroscopy	M.I. La Rotonda 2004
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[gliquidone]	3.26	7.4	25.0	UV-vis spectroscopy	M.I. La Rotonda 2004

glisentide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
445.53	8	3	4.85				SF_C1444	None		Not checked

SMILES: COc1ccccc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCC3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[glisentide]	2.82	1.48	4.2	15.0	UV-vis spectroscopy	A. Zornoza 1998
[b-Cyclodextrin](1).[glisentide]	2.76	1.60	4.2	20.0	UV-vis spectroscopy	A. Zornoza 1998
[b-Cyclodextrin](1).[glisentide]	2.71	1.30	4.2	25.0	UV-vis spectroscopy	A. Zornoza 1998
[b-Cyclodextrin](1).[glisentide]	2.66	1.30	4.2	30.0	UV-vis spectroscopy	A. Zornoza 1998
[b-Cyclodextrin](1).[glisentide]	2.59	1.00	4.2	37.0	UV-vis spectroscopy	A. Zornoza 1998
[b-Cyclodextrin](1).[glisentide]	1.90	0.60	8.6	25.0	UV-vis spectroscopy	A. Zornoza 1998
[g-Cyclodextrin](1).[glisentide]	2.16	0.90	4.2	15.0	UV-vis spectroscopy	A. Zornoza 1998
[g-Cyclodextrin](1).[glisentide]	1.99	0.70	4.2	25.0	UV-vis spectroscopy	A. Zornoza 1998
[g-Cyclodextrin](1).[glisentide]	1.93	0.60	4.2	30.0	UV-vis spectroscopy	A. Zornoza 1998
[g-Cyclodextrin](1).[glisentide]	1.82	0.48	4.2	37.0	UV-vis spectroscopy	A. Zornoza 1998

glisentide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
445.53	8	3	4.85				SF_C1445	None		Not checked

SMILES: COc1ccccc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCC3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

glucoamylase G1

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_2	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](2).[glucoamylase G1]	4.74	3.48	4.5	27.0	titration calorimetry	Bent W. Sigurskjold 1994
[b-Cyclodextrin].[glucoamylase G1]	4.75				Scatchard analysis	Bent W. Sigurskjold 1994
[b-Cyclodextrin].[glucoamylase G1]	5.64				titration calorimetry	Bent W. Sigurskjold 1994
[Soluble b-Cyclodextrin polymer](2).[glucoamylase G1]	4.67	3.48	4.5	27.0	titration calorimetry	Bent W. Sigurskjold 1994

glucosyl modified b-yclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0313	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[glucosyl modified b-yclodextrin](1).[1-bromonaphthalene]	3.13	7.0	22.0	UV-vis spectroscopy	Daniel G. Nocera 1996
[glucosyl modified b-yclodextrin](1).[1-bromonaphthalene]	3.37	2.9	22.0	UV-vis spectroscopy	Daniel G. Nocera 1996
[glucosyl modified b-yclodextrin](1).[1-bromonaphthalene]	3.58	9.0	22.0	UV-vis spectroscopy	Daniel G. Nocera 1996

glutathione

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
307.32	10	6	-0.72				SF_C185	None		Not checked

SMILES: N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2, 2'-ditelluro-bis(b-cyclodextrin)](2).[glutathione]	4.51		7.0	25.0	NMR spectroscopy	Yuqing Wu 2006

glycerol ether of beta-cyclodextrin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0314	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[glycerol ether of beta-cyclodextrin](1).[indomethacin]	2.94	1.95	10.0	40.0	HPLC-method	Thorsteinn Loftsson 1999
[glycerol ether of beta-cyclodextrin](1).[chlorambucil]	3.61	1.90	7.5	30.0	HPLC-method	Thorsteinn Loftsson 1999

glycine isoindole

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
192.21	3	3	1.90				SF_C813	None		Not checked

SMILES: NCC(O)=O.[nH]1cc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[glycine isoindole]	1.64		7.0		Fluorescence spectroscopy	Brian D. Wagner 2003

glycocholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
464.61	6	4	1.62				SF_C498	None		Not checked

SMILES: C[C@H](CCC(=O)NCC([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

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).[glycocholate]	4.04		7.2	25.0	UV-vis spectroscopy	Yu Liu 2003

glycocholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
464.61	6	4	1.62				SF_C505	None		Not checked

SMILES: C[C@H](CCC(=O)NCC([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

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](1).[glycocholate]	4.04		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004
[Bis(b-CyD)-CuII complex](1).[glycocholate]	6.24		7.0	25.0	Fluorescence spectroscopy	Yu Liu 2004

glycocholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
464.61	6	4	1.62				SF_C508	None		Not checked

SMILES: C[C@H](CCC(=O)NCC([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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Bridged bis(b-CD)](1).[glycocholate]	3.38	1.84	7.2	25.0	Microcalorimetric titrations	Yu Liu 2004

glycocholate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
464.61	6	4	1.62				SF_C847	None		Not checked

SMILES: C[C@H](CCC(=O)NCC([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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[glycocholate]	3.38	1.84	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono-(6-amino-6-deoxy)-b-CD](1).[glycocholate]	3.32	1.28	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono(6-carboxymethylamino-6-deoxy)-b-CD](1).[glycocholate]	3.35	1.38	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003
[mono[6-(R(-))-1-hydroxymethylpropylamino)-6-deoxy]-b-CD](1).[glycocholate]	3.59	0.60	7.2	25.0	Microcalorimetric titrations	Yu Liu 2003