OpenMolDB

Cortisone acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
402.48	6	1	2.56				nt1880	None		Not checked

SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Cortisone acetate]	3.39			25.0		Kenneth A. Connors 1995

Costa-type complex (R=n-C4H9)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					NT_b0168	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Costa-type complex (R=n-C4H9)]	3.55			25.0	1H-NMR	Hui-Lan Chen 2003

Costa-type complex (R=n-C6H13)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					NT_b0169	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Costa-type complex (R=n-C6H13)]	5.01	25.0	1H-NMR	Hui-Lan Chen 2003
[b-Cyclodextrin](1).[Costa-type complex (R=n-C6H13)]	4.37	25.0	1H-NMR	Hui-Lan Chen 2003
[g-Cyclodextrin](1).[Costa-type complex (R=n-C6H13)]	2.80	25.0	1H-NMR	Hui-Lan Chen 2003
[Sulfated-b-Cyclodextrin](1).[Costa-type complex (R=n-C6H13)]	4.48	25.0	1H-NMR	Hui-Lan Chen 2003
[Carboxylated b-CD](1).[Costa-type complex (R=n-C6H13)]	4.25	25.0	1H-NMR	Hui-Lan Chen 2003

Costa-type complex (R=n-C8H17)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					NT_b0170	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Costa-type complex (R=n-C8H17)]	5.10			25.0	1H-NMR	Hui-Lan Chen 2003

Crystal Violet

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
407.98	3	0	1.91				nt1111	None		Not checked

SMILES: [Cl-].CN(C)c1ccc(cc1)[C+](c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Crystal Violet]	3.42			25.0		Kenneth A. Connors 1995
[b-Cyclodextrin](1).[Crystal Violet]	3.27		7.2	25.0	UV-vis spectroscopy	Yu Liu 2001

Crystal Violet

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
407.98	3	0	1.91				nt1882	None		Not checked

SMILES: [Cl-].CN(C)c1ccc(cc1)[C+](c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Crystal Violet]	2.67			25.0		Kenneth A. Connors 1995
[g-Cyclodextrin](1).[Crystal Violet]	3.77		6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002

Crystal Violet

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
407.98	3	0	1.91				SF_C798	None		Not checked

SMILES: [Cl-].CN(C)c1ccc(cc1)[C+](c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[6,6'-o-phenylenediseleno-bridged bis(b-cyclodextrin)](1).[Crystal Violet]	4.52	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001
[6,6'-[2,2'-diselenobis(benzoyloxyl)]-bridged bis(b-cyclodextrin)](1).[Crystal Violet]	4.31	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001
[6,6'-[2,2'-diselenobis[2-(benzoylamino)-ethyleneamino]]-bridged bis(b-cyclodextrin)](1).[Crystal Violet]	4.18	7.2	25.0	UV-vis spectroscopy	Yu Liu 2001

Crystal Violet

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
407.98	3	0	1.91				SF_C855	None		Not checked

SMILES: [Cl-].CN(C)c1ccc(cc1)[C+](c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Cu(II) ion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_380	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](0.5).[Cu(II) ion]	39.20					Eugenijus Norkus 2004

Cu(II)-A-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0046	None

SMILES:

Supramolecules

Name	log K	Ref
[Cu(II)-A-b-CD](1).[R-28-T3]	7.20	George W. Gokel 2003
[Cu(II)-A-b-CD](1).[S-28-T3]	6.90	George W. Gokel 2003
[Cu(II)-A-b-CD](1).[R-29-T3]	4.70	George W. Gokel 2003
[Cu(II)-A-b-CD](1).[S-29-T3]	4.70	George W. Gokel 2003

Cu-Im-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0047	None

SMILES:

Supramolecules

Name	log K	Ref
[Cu-Im-b-CD](1).[R-23-T3]	15.53	George W. Gokel 2003
[Cu-Im-b-CD](1).[S-23-T3]	15.51	George W. Gokel 2003
[Cu-Im-b-CD](1).[R-24-T3]	15.85	George W. Gokel 2003
[Cu-Im-b-CD](1).[S-24-T3]	15.68	George W. Gokel 2003
[Cu-Im-b-CD](1).[R-25-T3]	16.47	George W. Gokel 2003
[Cu-Im-b-CD](1).[S-25-T3]	16.12	George W. Gokel 2003

Cu2+

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_399	None

SMILES: [Cu++]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[6A-(3-Aminopropylamino)-6A-deoxy-BCD](1).[Cu2+]	7.35	0.04		25.0	pH titration	Stephen F. Lincoln 1994
[protonated form of 6A-(3-Aminopropylamino)-6A-deoxy-BCD](1).[Cu2+]	3.09	0.04		25.0	pH titration	Stephen F. Lincoln 1994

Cyclizine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
266.38	2	0	2.90				nt0230	None		Not checked

SMILES: CN1CCN(CC1)C(c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Cyclizine]	1.68			25.0		Kenneth A. Connors 1995

Cyclizine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
266.38	2	0	2.90				nt1112	None		Not checked

SMILES: CN1CCN(CC1)C(c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Cyclizine]	3.08			25.0		Kenneth A. Connors 1995

Cyclizine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
266.38	2	0	2.90				nt1883	None		Not checked

SMILES: CN1CCN(CC1)C(c2ccccc2)c3ccccc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Cyclizine]	2.86			25.0		Kenneth A. Connors 1995