OpenMolDB

di-Na 4-hexyl 3-sulfonatosuccinate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C53	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[di-Na 4-hexyl 3-sulfonatosuccinate]	2.32			25.0	Conductivity	Vincent C. Reinsborough 1989

di-Na 4-nonyl 3-sulfonatosuccinate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C56	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[di-Na 4-nonyl 3-sulfonatosuccinate]	3.05			25.0	Conductivity	Vincent C. Reinsborough 1989

di-Na 4-octyl 3-sulfonatosuccinate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C55	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[di-Na 4-octyl 3-sulfonatosuccinate]	2.88			25.0	Conductivity	Vincent C. Reinsborough 1989

di-Na dodecylphosphate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C52	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[di-Na dodecylphosphate]	3.59			25.0	Conductivity	Vincent C. Reinsborough 1989

di-n-butyl phthalate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
278.34	4	0	3.60				NT_c0239	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[di-n-butyl phthalate]	3.23		7.0	25.0	self-assembled monolayer	Hiromi Kitano 2000
[a-Cyclodextrin](1).[di-n-butyl phthalate]	4.87		7.0	25.0	UV-VIS	Hiromi Kitano 2000

di-n-heptyl phthalate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
362.50	4	0	5.94				NT_c0240	None		Not checked

SMILES: CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[di-n-heptyl phthalate]	3.47		7.0	25.0	self-assembled monolayer	Hiromi Kitano 2000
[a-Cyclodextrin](1).[di-n-heptyl phthalate]	5.18		7.0	25.0	UV-VIS	Hiromi Kitano 2000

di-n-propyl phthalate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
250.29	4	0	2.82				NT_c0238	None		Not checked

SMILES: CCCOC(=O)c1ccccc1C(=O)OCCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[di-n-propyl phthalate]	3.09		7.0	25.0	self-assembled monolayer	Hiromi Kitano 2000
[a-Cyclodextrin](1).[di-n-propyl phthalate]	4.68		7.0	25.0	UV-VIS	Hiromi Kitano 2000

di-p-tert-butylphenyl phosphate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
361.39	3	0	6.28				SF_C1335	None		Not checked

SMILES: O=P(OC1=CC=C(C(C)(C)C)C=C1)([O-])OC2=CC=C(C(C)(C)C)C=C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[BCD dimer derivative 2](1).[di-p-tert-butylphenyl phosphate]	5.00		7.0	25.0	Fluorescence spectroscopy	Ronald Breslow 1990

di-tert amyl nitroxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
172.29	2	0	3.01				SF_C149	None		Not checked

SMILES: [O]N(C(C)(C)CC)C(C)(C)CC

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[di-tert amyl nitroxide]	3.04	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004
[b-Cyclodextrin](2).[di-tert amyl nitroxide]	1.75	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[di-tert amyl nitroxide]	3.18	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004
[g-Cyclodextrin](1).[di-tert amyl nitroxide]	2.41	7.0	21.0	EPR spectroscopy	Marco Lucarini 2004

diazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
284.74	3	0	2.65				SF_C1406	None		Not checked

SMILES: CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[diazepam]	1.00		2.0	30.5	HPLC-method	Thorsteinn Loftsson 1998
[sulfobutylether-b-cyclodextrin](1).[diazepam]	1.85	1.78	2.0	30.5	HPLC-method	Thorsteinn Loftsson 1998
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[diazepam]	2.15	1.70	2.0	30.5	HPLC-method	Thorsteinn Loftsson 1998

diazepam

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
284.74	3	0	2.65				SF_C1407	None		Not checked

SMILES: CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[diazepam]	2.08	1.00	2.0	30.5	HPLC-method	Thorsteinn Loftsson 1998

dibenzofuran

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
168.19	0	0	3.59				SF_C609	None		Not checked

SMILES: o1c2ccccc2c3ccccc13

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[BCD polymer](1).[dibenzofuran]	4.23	3.30	25.0	Fluorescence anisotropy titrations	Gustavo González-Gaitano 2005
[BCD polymer H](1).[dibenzofuran]	3.95	3.30	25.0	Fluorescence anisotropy titrations	Gustavo González-Gaitano 2005
[b-Cyclodextrin](1).[dibenzofuran]	3.26	2.30	25.0	Fluorescence anisotropy titrations	Gustavo González-Gaitano 2005

dibenzofuran 2-carboxylate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
211.19	1	0	1.95				SF_C611	None		Not checked

SMILES: [O-]C(=O)c1ccc2oc3ccccc3c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[BCD polymer](1).[dibenzofuran 2-carboxylate]	3.59	2.60	8.0	25.0	Fluorescence anisotropy titrations	Gustavo González-Gaitano 2005
[BCD polymer H](1).[dibenzofuran 2-carboxylate]	3.14	1.90	8.0	25.0	Fluorescence anisotropy titrations	Gustavo González-Gaitano 2005
[b-Cyclodextrin](1).[dibenzofuran 2-carboxylate]	3.33	1.70	8.0	25.0	Fluorescence anisotropy titrations	Gustavo González-Gaitano 2005

dibenzofuran-2-carboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
212.20	2	1	3.28				SF_C607	None		Not checked

SMILES: OC(=O)c1ccc2oc3ccccc3c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[dibenzofuran-2-carboxylic acid]	3.04	1.90	2.0	25.0	Fluorescence spectroscopy	Gustavo González-Gaitano 2004
[b-Cyclodextrin](1).[dibenzofuran-2-carboxylic acid]	3.95	3.00	2.0	25.0	Fluorescence spectroscopy	Gustavo González-Gaitano 2004
[b-Cyclodextrin](1).[dibenzofuran-2-carboxylic acid]	3.45	1.60	10.0	15.0	Fluorescence spectroscopy	Gustavo González-Gaitano 2004
[b-Cyclodextrin](1).[dibenzofuran-2-carboxylic acid]	3.33	1.70	10.0	25.0	Fluorescence spectroscopy	Gustavo González-Gaitano 2004
[b-Cyclodextrin](1).[dibenzofuran-2-carboxylic acid]	3.23	1.60	10.0	35.0	Fluorescence spectroscopy	Gustavo González-Gaitano 2004
[b-Cyclodextrin](1).[dibenzofuran-2-carboxylic acid]	3.12	1.70	10.0	45.0	Fluorescence spectroscopy	Gustavo González-Gaitano 2004
[g-Cyclodextrin](1).[dibenzofuran-2-carboxylic acid]	4.08	3.00	2.0	25.0	Fluorescence spectroscopy	Gustavo González-Gaitano 2004
[g-Cyclodextrin](1).[dibenzofuran-2-carboxylic acid]	2.70	1.78	10.0	15.0	Fluorescence spectroscopy	Gustavo González-Gaitano 2004
[g-Cyclodextrin](1).[dibenzofuran-2-carboxylic acid]	2.65	1.78	10.0	25.0	Fluorescence spectroscopy	Gustavo González-Gaitano 2004
[g-Cyclodextrin](1).[dibenzofuran-2-carboxylic acid]	2.60	1.78	10.0	35.0	Fluorescence spectroscopy	Gustavo González-Gaitano 2004
[g-Cyclodextrin](1).[dibenzofuran-2-carboxylic acid]	2.48	2.00	10.0	45.0	Fluorescence spectroscopy	Gustavo González-Gaitano 2004

dibenzofuran-2-carboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
212.20	2	1	3.28				SF_C608	None		Not checked

SMILES: OC(=O)c1ccc2oc3ccccc3c2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref