| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 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) | 4.43 | 10.9 | -7.92 | 0 | 2 | 0 | 18 | 303.192 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.43 | 11.38 | -35.22 | 1 | 2 | 1 | 19 | 304.2 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A-3-E | Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 76 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A_RAT | P22443 | Cytochrome P450 19A1, Rat | 76 | 0.50 | Binding ≤ 1μM |
| CP19A_RAT | P22443 | Cytochrome P450 19A1, Rat | 76 | 0.50 | Binding ≤ 10μM |
