| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 29 | 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) | 5.13 | 13.72 | -8.24 | 0 | 3 | 0 | 39 | 391.555 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.13 | 14.02 | -37.54 | 1 | 3 | 1 | 40 | 392.563 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.01e-03 g/l | DrugBank-approved |
| Target | P450 | Selleck Chemicals |
| Target | P450 (e.g. CYP17) | Selleck Chemicals |
