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)	2.89	7.61	-46.61	4	5	1	79	352.458	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.89	7.7	-14.22	3	5	0	78	351.45	6	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CP17A-1-E	Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	13	0.42	Binding ≤ 10μM
CP3A4-2-E	Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic	Eukaryotes	3400	0.29	ADME/T ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CP17A_RAT	P11715	Cytochrome P450 17A1, Rat	13	0.42	Binding ≤ 1μM
CP17A_HUMAN	P05093	Cytochrome P450 17A1, Human	38	0.40	Binding ≤ 1μM
CP17A_RAT	P11715	Cytochrome P450 17A1, Rat	13	0.42	Binding ≤ 10μM
CP17A_HUMAN	P05093	Cytochrome P450 17A1, Human	38	0.40	Binding ≤ 10μM
CP3A4_HUMAN	P08684	Cytochrome P450 3A4, Human	3400	0.29	ADME/T ≤ 10μM

Description	Species
Aflatoxin activation and detoxification	Homo sapiens (CP3A4_HUMAN)
Androgen biosynthesis	Homo sapiens (CP17A_HUMAN) Rattus norvegicus (CP17A_RAT)
Endogenous sterols	Rattus norvegicus (CP17A_RAT) Homo sapiens (CP17A_HUMAN)
Glucocorticoid biosynthesis	Homo sapiens (CP17A_HUMAN) Rattus norvegicus (CP17A_RAT)
Xenobiotics	Homo sapiens (CP3A4_HUMAN)