| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2007 | 22 | No |
| 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) | 3.40 | 5.6 | -4.55 | 3 | 3 | 0 | 59 | 302.462 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 3.40 | 5.48 | -38.83 | 4 | 3 | 1 | 60 | 303.47 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP17A-2-E | Cytochrome P450 17A1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6480 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP17A_HUMAN | P05093 | Cytochrome P450 17A1, Human | 3780 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis | |
| Endogenous sterols | |
| Glucocorticoid biosynthesis |
