| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 12th, 2013 | 44 | 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) | -0.45 | -7.57 | -21.46 | 9 | 15 | 0 | 245 | 624.592 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Caspase-3(P42574) | Herbal Ingredients Targets |
No pre-computed analogs available. Try a structural similarity search.