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)	2.98	7.67	-12.32	1	5	0	59	360.498	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.78	7.08	-41.86	1	5	1	61	361.506	2	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
3BHS1-2-E	3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type I (cluster #2 Of 2), Eukaryotic	Eukaryotes	50	0.39	Binding ≤ 10μM
3BHS2-1-E	3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type II (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.39	Binding ≤ 10μM
S5A1-1-E	Steroid 5-alpha-reductase 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2300	0.30	Binding ≤ 10μM
S5A2-1-E	Steroid 5-alpha-reductase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.47	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
3BHS1_HUMAN	P14060	3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type I, Human	50	0.39	Binding ≤ 1μM
3BHS2_HUMAN	P26439	3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type II, Human	50	0.39	Binding ≤ 1μM
S5A2_HUMAN	P31213	Steroid 5-alpha-reductase 2, Human	2.4	0.46	Binding ≤ 1μM
3BHS1_HUMAN	P14060	3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type I, Human	50	0.39	Binding ≤ 10μM
3BHS2_HUMAN	P26439	3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type II, Human	50	0.39	Binding ≤ 10μM
S5A1_HUMAN	P18405	Steroid 5-alpha-reductase 1, Human	2300	0.30	Binding ≤ 10μM
S5A2_HUMAN	P31213	Steroid 5-alpha-reductase 2, Human	2.4	0.46	Binding ≤ 10μM

Description	Species
Androgen biosynthesis	Homo sapiens (3BHS1_HUMAN)
Glucocorticoid biosynthesis	Homo sapiens (3BHS1_HUMAN)
Mineralocorticoid biosynthesis	Homo sapiens (3BHS1_HUMAN)