Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.63	9.33	-9.06	1	2	0	33	317.363	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.63	10.1	-48.36	0	2	-1	36	316.355	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.63	9.79	-39.01	2	2	1	34	318.371	2	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
C11B1-1-E	Cytochrome P450 11B1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2748	0.32	Binding ≤ 10μM
C11B2-1-E	Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	991	0.35	Binding ≤ 10μM
CP17A-1-E	Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	188	0.39	Binding ≤ 10μM
CP3A4-2-E	Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic	Eukaryotes	2114	0.33	ADME/T ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
C11B2_HUMAN	P19099	Cytochrome P450 11B2, Human	991	0.35	Binding ≤ 1μM
CP17A_HUMAN	P05093	Cytochrome P450 17A1, Human	188	0.39	Binding ≤ 1μM
C11B1_HUMAN	P15538	Cytochrome P450 11B1, Human	2748	0.32	Binding ≤ 10μM
C11B2_HUMAN	P19099	Cytochrome P450 11B2, Human	991	0.35	Binding ≤ 10μM
CP17A_HUMAN	P05093	Cytochrome P450 17A1, Human	188	0.39	Binding ≤ 10μM
CP3A4_HUMAN	P08684	Cytochrome P450 3A4, Human	2114	0.33	ADME/T ≤ 10μM

Description	Species
Aflatoxin activation and detoxification	Homo sapiens (CP3A4_HUMAN)
Androgen biosynthesis	Homo sapiens (CP17A_HUMAN)
Endogenous sterols	Homo sapiens (CP17A_HUMAN)
Glucocorticoid biosynthesis	Homo sapiens (CP17A_HUMAN)
Mineralocorticoid biosynthesis	Homo sapiens (C11B1_HUMAN)
Xenobiotics	Homo sapiens (CP3A4_HUMAN)