| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 12th, 2013 | 55 | 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) | -2.15 | -12.34 | -28.1 | 12 | 20 | 0 | 324 | 786.733 | 14 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Caspase-3(P42574)&Apoptosis regulator BAX(Q07812) | Herbal Ingredients Targets |
No pre-computed analogs available. Try a structural similarity search.