OpenMolDB

Dexamethasone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.46	5	3	1.90				nt1894	None		Not checked

SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Dexamethasone]	4.42			25.0		Kenneth A. Connors 1995
[g-Cyclodextrin](1).[Dexamethasone]	3.56	2.30		35.0	HPLC	Nina Sadlej-Sosnowska 1997

Dexamethasone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.46	5	3	1.90				VR_C118	None		Not checked

SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Dexamethasone phosphate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
472.44	10	4	2.01				VR_C120	None		Not checked

SMILES: O=C1C=C[C@]2(C)[C@@]3(F)[C@@H](O)C[C@]4(C)[C@](C(CO)=O)(OP(O)(O)=O)[C@H](C)C[C@@]4([H])[C@]3([H])CCC2=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Dexamethasone phosphate]	2.60	2.00		35.0	HPLC	Nina Sadlej-Sosnowska 1997
[g-Cyclodextrin](1).[Dexamethasone phosphate]	3.30	2.70		35.0	HPLC	Nina Sadlej-Sosnowska 1997

Dexamethasone acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
434.50	6	2	2.47				nt0256	None		Not checked

SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Dexamethasone acetate]	2.50			25.0		Kenneth A. Connors 1995

Dexamethasone acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
434.50	6	2	2.47				nt1155	None		Not checked

SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Dexamethasone acetate]	3.98			25.0		Kenneth A. Connors 1995

Dexamethasone acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
434.50	6	2	2.47				nt1895	None		Not checked

SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Dexamethasone acetate]	4.57			25.0		Kenneth A. Connors 1995

Di(AB)-NMe3+-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0050	None

SMILES:

Supramolecules

Name	log K	SD	Ref
[Di(AB)-NMe3+-b-CD](1).[R-44-T3]	2.13	0.48	George W. Gokel 2003
[Di(AB)-NMe3+-b-CD](1).[S-44-T3]	2.28	0.48	George W. Gokel 2003
[Di(AB)-NMe3+-b-CD](1).[R-5-T3]	2.25	0.60	George W. Gokel 2003
[Di(AB)-NMe3+-b-CD](1).[S-5-T3]	2.26	0.48	George W. Gokel 2003

Di(AC)-NMe3+-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0051	None

SMILES:

Supramolecules

Name	log K	SD	Ref
[Di(AC)-NMe3+-b-CD](1).[R-43-T3]	2.05	0.48	George W. Gokel 2003
[Di(AC)-NMe3+-b-CD](1).[S-43-T3]	2.12	0.48	George W. Gokel 2003
[Di(AC)-NMe3+-b-CD](1).[R-49-T3]	2.13	0.60	George W. Gokel 2003
[Di(AC)-NMe3+-b-CD](1).[S-49-T3]	2.15	0.70	George W. Gokel 2003

Di(AD)-NMe3+-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0052	None

SMILES:

Supramolecules

Name	log K	SD	Ref
[Di(AD)-NMe3+-b-CD](1).[R-42-T3]	1.97	0.48	George W. Gokel 2003
[Di(AD)-NMe3+-b-CD](1).[S-42-T3]	2.03	0.48	George W. Gokel 2003
[Di(AD)-NMe3+-b-CD](1).[R-48-T3]	2.06	0.60	George W. Gokel 2003
[Di(AD)-NMe3+-b-CD](1).[S-48-T3]	2.07	0.48	George W. Gokel 2003

Di-t-butyl nitroxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
144.23	2	0	2.23				nt1161	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Di-t-butyl nitroxide]	2.69			25.0		Kenneth A. Connors 1995

Di-t-butyl nitroxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
144.23	2	0	2.23				nt1898	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Di-t-butyl nitroxide]	2.45			25.0		Kenneth A. Connors 1995

Di-t-butylnitroxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
144.23	2	0	2.23				nt0263	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Di-t-butylnitroxide]	0.78			25.0		Kenneth A. Connors 1995

Di-tert-butyl nitroxide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
144.23	2	0	2.23				NT_c0215	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Di-tert-butyl nitroxide ]	2.97			25.0	ESR	Yoshimi Sueishi 1991
[g-Cyclodextrin](1).[Di-tert-butyl nitroxide ]	2.43			25.0	ESR	Yoshimi Sueishi 1991

Diacetin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
352.33	10	2	-1.05				nt0257	None		Not checked

SMILES: CC(=O)OCC(O)COC(C)=O.CC(=O)OCC(CO)OC(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Diacetin]	1.11			25.0		Kenneth A. Connors 1995

Diacetin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
352.33	10	2	-1.05				nt1156	None		Not checked

SMILES: CC(=O)OCC(O)COC(C)=O.CC(=O)OCC(CO)OC(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Diacetin]	1.18			25.0		Kenneth A. Connors 1995