OpenMolDB

Hydrocortisone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
362.46	5	3	1.78				SF_C557	None		Not checked

SMILES: C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Beta-CDC6](1).[Hydrocortisone]	3.42				DSC, FTIR	Erem Memisoglu-Bilensoy 2006

Hydrocortisone acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
404.50	6	2	2.35				nt0443	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]3[C@@H](O)C[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Hydrocortisone acetate]	1.94			25.0		Kenneth A. Connors 1995

Hydrocortisone acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
404.50	6	2	2.35				nt1373	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]3[C@@H](O)C[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Hydrocortisone acetate]	3.51			25.0		Kenneth A. Connors 1995

Hydrocortisone acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
404.50	6	2	2.35				nt1933	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]3[C@@H](O)C[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Hydrocortisone acetate]	3.36			25.0		Kenneth A. Connors 1995

Hydrocortisone butyrate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
432.55	6	2	3.13				nt0444	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Hydrocortisone butyrate]	2.48			25.0		Kenneth A. Connors 1995

Hydrocortisone butyrate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
432.55	6	2	3.13				nt1374	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Hydrocortisone butyrate]	3.38			25.0		Kenneth A. Connors 1995

Hydrocortisone butyrate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
432.55	6	2	3.13				nt1934	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Hydrocortisone butyrate]	3.46			25.0		Kenneth A. Connors 1995

Hydroxyzine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
374.90	4	1	2.93				nt0472	None		Not checked

SMILES: OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Hydroxyzine]	3.06			25.0		Kenneth A. Connors 1995

Hydroxyzine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
374.90	4	1	2.93				nt1935	None		Not checked

SMILES: OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Hydroxyzine]	3.12			25.0		Kenneth A. Connors 1995

Hydroxyzine 2HCl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
447.83	4	3	4.54				SF_C1798	None		Not checked

SMILES: C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Hydroxyzine 2HCl ]	2.58	1.54	7.0	25.0	Calorimetry	J. Keith Guillory 1991
[a-Cyclodextrin](1).[Hydroxyzine 2HCl ]	3.06	1.57	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[g-Cyclodextrin](1).[Hydroxyzine 2HCl ]	3.12	1.96	7.0	25.0	Calorimetry	Bradley D. Anderson 1993

Hydroxyzine HCI

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1797	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Hydroxyzine HCI]	2.59	1.18	7.0	25.0	Calorimetry	J. Keith Guillory 1991
[b-Cyclodextrin](1).[Hydroxyzine HCI]	3.36	2.01	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[a-Cyclodextrin](1).[Hydroxyzine HCI]	3.06	1.78	7.0	25.0	Calorimetry	Bradley D. Anderson 1993
[g-Cyclodextrin](1).[Hydroxyzine HCI]	3.08	1.78	7.0	25.0	Calorimetry	Bradley D. Anderson 1993

Hyodeoxycholic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.57	4	3	4.48				NT_c0264	None		Not checked

SMILES: CC(CCC(O)=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-CD-peptide](1).[Hyodeoxycholic acid]	5.32	3.79	7.5	25.0	Fluorescence resonance energy transfer	Hisakazu Mihara 2003

I -

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_O_4	None

SMILES: I

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[I -]	0.96	-0.52	0.7	25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994
[mono[6-(1-pyridinio)-6-deoxy]-a-cyclodextrin](1).[I -]	2.21			25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994

I-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1291	None

SMILES: I

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[I-]	0.67	-1.36	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993

I3-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					NT_c0242	None

SMILES: I[I-]I

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[I3-]	5.34				N.A	Hiromi Kitano 2000
[b-Cyclodextrin](1).[I3-]	2.65				N.A	Hiromi Kitano 2000