| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 29th, 2008 | 31 | Yes |
Popular Name: 4-benzhydryl-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide 4-benzhydryl-N-[4-(cyanomethyl)p…
| 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) | 4.72 | 12.88 | -14.6 | 1 | 5 | 0 | 59 | 410.521 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.72 | 14.46 | -49.34 | 2 | 5 | 1 | 61 | 411.529 | 5 | ↓ |
