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)	1.63	4.47	-47	5	5	1	93	310.377	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.63	4.41	-14.7	4	5	0	92	309.369	4	↓ 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	10	0.49	Binding ≤ 10μM
CP3A4-2-E	Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic	Eukaryotes	3700	0.33	ADME/T ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CP17A_RAT	P11715	Cytochrome P450 17A1, Rat	10	0.49	Binding ≤ 1μM
CP17A_HUMAN	P05093	Cytochrome P450 17A1, Human	30	0.46	Binding ≤ 1μM
CP17A_RAT	P11715	Cytochrome P450 17A1, Rat	10	0.49	Binding ≤ 10μM
CP17A_HUMAN	P05093	Cytochrome P450 17A1, Human	30	0.46	Binding ≤ 10μM
CP3A4_HUMAN	P08684	Cytochrome P450 3A4, Human	3700	0.33	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)