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)	4.54	10.67	-7.55	0	1	0	13	263.315	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.54	11.12	-36.84	1	1	1	14	264.323	3	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
C11B1-2-E	Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	928	0.42	Binding ≤ 10μM
C11B2-1-E	Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	515	0.44	Binding ≤ 10μM
CP17A-1-E	Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	386	0.45	Binding ≤ 10μM
CP3A4-2-E	Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic	Eukaryotes	668	0.43	ADME/T ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
C11B1_HUMAN	P15538	Cytochrome P450 11B1, Human	928	0.42	Binding ≤ 1μM
C11B2_HUMAN	P19099	Cytochrome P450 11B2, Human	515	0.44	Binding ≤ 1μM
CP17A_HUMAN	P05093	Cytochrome P450 17A1, Human	386	0.45	Binding ≤ 1μM
C11B1_HUMAN	P15538	Cytochrome P450 11B1, Human	928	0.42	Binding ≤ 10μM
C11B2_HUMAN	P19099	Cytochrome P450 11B2, Human	515	0.44	Binding ≤ 10μM
CP17A_HUMAN	P05093	Cytochrome P450 17A1, Human	386	0.45	Binding ≤ 10μM
CP3A4_HUMAN	P08684	Cytochrome P450 3A4, Human	668	0.43	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)