| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 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) | 3.18 | 10.02 | -6.88 | 0 | 3 | 0 | 27 | 264.328 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 10.5 | -30.71 | 1 | 3 | 1 | 28 | 265.336 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A-3-E | Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 66 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A_RAT | P22443 | Cytochrome P450 19A1, Rat | 66 | 0.50 | Binding ≤ 1μM |
| CP19A_RAT | P22443 | Cytochrome P450 19A1, Rat | 66 | 0.50 | Binding ≤ 10μM |
