OpenMolDB

dibenzyl nitroxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
212.27	2	0	3.03				SF_C148	None		Not checked

SMILES: [O]N(CC1=CC=CC=C1)CC2=CC=CC=C2

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[dibenzyl nitroxide]	2.59	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004
[b-Cyclodextrin](2).[dibenzyl nitroxide]	1.51	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[dibenzyl nitroxide]	2.73	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004
[g-Cyclodextrin](1).[dibenzyl nitroxide]	1.83	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004

dibutyl-phthalate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
278.34	4	0	3.60				NT_b0118	None		Not checked

SMILES: CCCCOC(=O)c1ccccc1C(=O)OCCCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[dibutyl-phthalate]	4.50			25.0	fluorescence spectroscopy	Murai, Shoji 1998

dichromate ion(Cr2O72-)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_314	None

SMILES:

Supramolecules

Name	log K	SD	Method	Ref
[a-Cyclodextrin](1).[dichromate ion(Cr2O72-)]	1.51	0.65	freezing point depression method, osmotic measurements	Masahiko Suzuki 1993
[b-Cyclodextrin](1).[dichromate ion(Cr2O72-)]	1.01	0.30	freezing point depression method, osmotic measurements	Masahiko Suzuki 1993
[g-Cyclodextrin](1).[dichromate ion(Cr2O72-)]	1.26	0.46	freezing point depression method, osmotic measurements	Masahiko Suzuki 1993

diclofenac

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
296.15	3	2	4.44				SF_C916	None		Not checked

SMILES: OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[diclofenac]	3.10	0.40	3.5	20.0	Potentiometry	Graciela M. Escandar 1999
[b-Cyclodextrin](1).[diclofenac]	3.00	0.10	3.5	20.0	Spetrophotometry	Graciela M. Escandar 1999
[b-Cyclodextrin](1).[diclofenac]	3.11	0.03	3.5	20.0	Spectrofluorimetry	Graciela M. Escandar 1999
[b-Cyclodextrin](1).[diclofenac]	3.00	0.40	7.0	20.0	Potentiometry	Graciela M. Escandar 1999
[b-Cyclodextrin](1).[diclofenac]	3.15	0.05	7.0	20.0	Spectrofluorimetry	Graciela M. Escandar 1999
[b-Cyclodextrin](1).[diclofenac]	2.47		7.0	25.0	UV-vis spectroscopy	Maria Immacolata La Rotonda 2004
[b-Cyclodextrin](1).[diclofenac]	2.55		7.0	25.0	Circular dichroism spectroscopy	Maria Immacolata La Rotonda 2004

diclofenac

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
296.15	3	2	4.44				SF_C917	None		Not checked

SMILES: OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

diclofenac

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
296.15	3	2	4.44				SF_C951	None		Not checked

SMILES: OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

diclofenac sodium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.13	2	1	3.10				SF_C87	None		Not checked

SMILES: [Na+].[O-]C(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[diclofenac sodium]	3.22	1.00	7.0	37.0	Calorimetry	R. Chadha 2002

dicloxacillin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
470.33	8	2	3.53				SF_C537	None		Not checked

SMILES: Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c4c(Cl)cccc4Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[dicloxacillin]	2.79	2.30	7.0	25.0	NMR spectroscopy	Konstantina Yannakopoulou 2006

diethyl phthalate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
222.24	4	0	2.04				NT_c0237	None		Not checked

SMILES: CCOC(=O)c1ccccc1C(=O)OCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[diethyl phthalate]	2.96		7.0	25.0	self-assembled monolayer	Hiromi Kitano 2000
[a-Cyclodextrin](1).[diethyl phthalate]	4.64		7.0	25.0	UV-VIS	Hiromi Kitano 2000

diethyl-phthalate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
222.24	4	0	2.04				NT_b0116	None		Not checked

SMILES: CCOC(=O)c1ccccc1C(=O)OCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[diethyl-phthalate]	2.42			25.0	fluorescence spectroscopy	Murai, Shoji 1998

diethylaminoethyl-a-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0310	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[diethylaminoethyl-a-CD](1).[p-nitrophenol]	2.18			20.0	UV-vis spectroscopy	Tatsuhiko Yagi 1993
[diethylaminoethyl-a-CD](1).[3,4-dinitrophenol]	2.51			20.0	UV-vis spectroscopy	Tatsuhiko Yagi 1993

diethylenetriamino bridged bis(BCD)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0271	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[diethylenetriamino bridged bis(BCD)](1).[brilliant green]	3.80	25.0	UV-vis spectroscopy	Yu Liu 2001
[diethylenetriamino bridged bis(BCD)](1).[methyl orange]	4.54	25.0	circular dichroism spectroscopy	Yu Liu 2001
[diethylenetriamino bridged bis(BCD)](1).[ammonium 8-anilino-1-naphthalenesulphonic acid]	3.12	25.0	fluorescence spectroscopy	Yu Liu 2001
[diethylenetriamino bridged bis(BCD)](1).[sodium 6-(p-toluidino)-2-naphthalenesulphonic acid]	4.17	25.0	fluorescence spectroscopy	Yu Liu 2001

diethylenetriamino bridged bis(BCD) copper(II) complex

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0272	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[diethylenetriamino bridged bis(BCD) copper(II) complex](1).[brilliant green]	4.15	25.0	UV-vis spectroscopy	Yu Liu 2001
[diethylenetriamino bridged bis(BCD) copper(II) complex](1).[methyl orange]	4.29	25.0	circular dichroism spectroscopy	Yu Liu 2001
[diethylenetriamino bridged bis(BCD) copper(II) complex](1).[ammonium 8-anilino-1-naphthalenesulphonic acid]	3.20	25.0	fluorescence spectroscopy	Yu Liu 2001
[diethylenetriamino bridged bis(BCD) copper(II) complex](1).[sodium 6-(p-toluidino)-2-naphthalenesulphonic acid]	4.32	25.0	fluorescence spectroscopy	Yu Liu 2001

diethylenetriamino-BCD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0273	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[diethylenetriamino-BCD](1).[2-naphthalenesulfonate]	3.13	0.02	7.2	25.0	calorimetric titration	Yoshihisa Inoue 1993

diflunisal

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
250.20	3	2	3.04				SF_C1666	None		Not checked

SMILES: OC(=O)c1cc(ccc1O)c2ccc(F)cc2F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Randomly methylated-b-Cyclodextrin (DS ~12)](2).[diflunisal]	1.94	1.43	7.0	25.0	NMR spectroscopy	John H. Coates 1988
[g-Cyclodextrin](1).[diflunisal]	4.74	3.30	7.0	25.0	UV-vis spectroscopy	John H. Coates 1988
[g-Cyclodextrin](2).[diflunisal]	4.36	3.30	7.0	25.0	NMR spectroscopy	John H. Coates 1988
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[diflunisal]	4.84	2.30	7.0	25.0	UV-vis spectroscopy	John H. Coates 1988