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)	3.88	7.7	-7.58	0	2	0	22	235.286	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.88	7.98	-39.23	1	2	1	23	236.294	2	↓ 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	1577	0.45	Binding ≤ 10μM
C11B2-1-E	Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.64	Binding ≤ 10μM
CP17A-1-E	Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	667	0.48	Binding ≤ 10μM
CP19A-3-E	Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	586	0.48	Binding ≤ 10μM
CP19A-2-E	Cytochrome P450 19A1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	600	0.48	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
C11B2_HUMAN	P19099	Cytochrome P450 11B2, Human	6	0.64	Binding ≤ 1μM
CP17A_HUMAN	P05093	Cytochrome P450 17A1, Human	667	0.48	Binding ≤ 1μM
CP19A_HUMAN	P11511	Cytochrome P450 19A1, Human	586	0.48	Binding ≤ 1μM
C11B1_HUMAN	P15538	Cytochrome P450 11B1, Human	1577	0.45	Binding ≤ 10μM
C11B2_HUMAN	P19099	Cytochrome P450 11B2, Human	6	0.64	Binding ≤ 10μM
CP17A_HUMAN	P05093	Cytochrome P450 17A1, Human	667	0.48	Binding ≤ 10μM
CP19A_HUMAN	P11511	Cytochrome P450 19A1, Human	586	0.48	Binding ≤ 10μM
CP19A_HUMAN	P11511	Cytochrome P450 19A1, Human	600	0.48	Functional ≤ 10μM

Description	Species
Androgen biosynthesis	Homo sapiens (CP17A_HUMAN)
Endogenous sterols	Homo sapiens (CP17A_HUMAN)
Estrogen biosynthesis	Homo sapiens (CP19A_HUMAN)
Glucocorticoid biosynthesis	Homo sapiens (CP17A_HUMAN)
Mineralocorticoid biosynthesis	Homo sapiens (C11B1_HUMAN)