| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 11th, 2009 | 20 | Yes |
| 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 (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.91 | 11.11 | -8.72 | 0 | 2 | 0 | 18 | 266.319 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.91 | 11.93 | -36.34 | 1 | 2 | 1 | 19 | 267.327 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP17A-1-E | Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1100 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP17A_HUMAN | P05093 | Cytochrome P450 17A1, Human | 1100 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis | |
| Endogenous sterols | |
| Glucocorticoid biosynthesis |
