| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 25 | Yes |
Popular Name: 3-[4-(4-benzylpiperazine-1-carbonyl)-1-piperidyl]propanenitrile 3-[4-(4-benzylpiperazine-1-carbo…
| 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) | 1.21 | 9.06 | -58.97 | 1 | 5 | 1 | 52 | 341.479 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.21 | 6.81 | -12.93 | 0 | 5 | 0 | 51 | 340.471 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.21 | 11.27 | -114.34 | 2 | 5 | 2 | 53 | 342.487 | 5 | ↓ |
