| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 19 | Yes |
Popular Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-fluoro-benzonitrile 4-[4-(2-cyanoethyl)piperazin-1-y…
| 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) | 1.24 | 6.56 | -10.35 | 0 | 4 | 0 | 54 | 258.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 8.77 | -58.84 | 1 | 4 | 1 | 55 | 259.308 | 3 | ↓ |
