OpenMolDB

Furosemide anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					nt1344	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Furosemide anion]	2.27			25.0		Kenneth A. Connors 1995

G-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0166	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[G-b-CD](1).[acridine red]	3.16		6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002

G2-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0165	None

SMILES:

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[G2-b-CD](1).[Ebselen]	2.63	7.0	25.0	phase solubility	Kaneto Uekama 2002
[G2-b-CD](1).[phenacetin]	2.33	7.4	37.0	HPLC-method	J. Howard Rytting 2002
[G2-b-CD](1).[taurocholate]	2.80	7.4	37.0	HPLC-method	J. Howard Rytting 2002

GCD derivate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					CY-3001.9	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[GCD derivate](1).[2-anthracenecarboxylic acid]	3.84	20.0	UV-vis, NMR and circular dichroism spectroscopy	Yoshihisa Inoue 2006
[GCD derivate](1).[2-anthracenecarboxylic acid]	2.24	20.0	circular dichroism spectroscopy	Yoshihisa Inoue 2006
[GCD derivate](0.5).[2-anthracenecarboxylic acid]	3.50	20.0	UV-vis, NMR and circular dichroism spectroscopy	Yoshihisa Inoue 2006
[GCD derivate](0.5).[2-anthracenecarboxylic acid]	4.24	20.0	circular dichroism spectroscopy	Yoshihisa Inoue 2006

Gd-1

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C17	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Gd-1]	4.97		7.0	25.0	Proton Relaxation Enhancement Method	Silvio Aime 2006
[chitosan-g-CD].[Gd-1]	6.32		7.0	25.0	Proton Relaxation Enhancement Method	Silvio Aime 2006

Gliclazide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
323.41	6	2	3.43				NT_c0203	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]	3.04				13C NMR	Moyano, Jose R. 1997

Gly-D-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
222.24	5	3	0.85				SF_C1756	None		Not checked

SMILES: NCC(=O)NC(Cc1ccccc1)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Gly-D-Phe ]	1.36	-0.15	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[b-Cyclodextrin](1).[Gly-D-Phe ]	1.83	0.08	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Gly-D-Phe ]	0.95	-0.15	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Gly-D-Phe ]	1.11	-0.30	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994

Gly-D-Phe (zwitterion)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1586	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[Gly-D-Phe (zwitterion) ]	1.59	0.30	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[Gly-D-Phe (zwitterion) ]	1.67		6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

Gly-L-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
222.24	5	3	0.85				SF_C1076	None		Not checked

SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Gly-L-Phe ]	1.67		6.1	25.0	Microcalorimetry	Yoshihisa Inoue 2000
[b-Cyclodextrin](1).[Gly-L-Phe ]	1.88		7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994

Gly-L-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
222.24	5	3	0.85				SF_C1755	None		Not checked

SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Gly-L-Phe ]	1.30	-0.22	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Gly-L-Phe ]	1.00	-0.10	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Gly-L-Phe ]	1.15	-0.10	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994

Gly-L-Phe (zwitterion)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1587	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[mono-(6-amino-6-deoxy)-b-CD](1).[Gly-L-Phe (zwitterion) ]	1.62	0.30	6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002
[b-Cyclodextrin](1).[Gly-L-Phe (zwitterion) ]	1.73		6.9	25.0	Titration Calorimetry	Yoshihisa Inoue 2002

Gly-L-Tyr

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
238.24	6	4	0.55				SF_C1759	None		Not checked

SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CN)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Gly-L-Tyr ]	1.11	-0.70	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[b-Cyclodextrin](1).[Gly-L-Tyr ]	2.00	0.30	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Gly-L-Tyr ]	1.11	-0.22	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Gly-L-Tyr ]	1.20	-0.05	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994

GlyGly-L-Phe

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1758	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[GlyGly-L-Phe ]	1.67	-0.10	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[b-Cyclodextrin](1).[GlyGly-L-Phe ]	1.95	0.28	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[GlyGly-L-Phe ]	1.04	-0.05	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[GlyGly-L-Phe ]	1.32	0.08	7.4	23.0	UV-vis spectroscopy	Jiri Horsky 1994

Glycerol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
92.09	3	3	-1.67				nt1345	None		Not checked

SMILES: OCC(O)CO

Supramolecules

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

Glycochenodeoxycholate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
448.62	8	3	2.65				nt1346	None		Not checked

SMILES: O[C@@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)CCC(NCC([O-])=O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)CC2C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Glycochenodeoxycholate anion]	4.50			25.0		Kenneth A. Connors 1995