| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 18 | Yes |
Popular Name: 3-[(4-ethylpiperazin-1-yl)methyl]-4-fluoro-benzonitrile 3-[(4-ethylpiperazin-1-yl)methyl…
| 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) | 1.86 | 7.08 | -37.55 | 1 | 3 | 1 | 31 | 248.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 7.12 | -39.9 | 1 | 3 | 1 | 31 | 248.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 4.77 | -5.15 | 0 | 3 | 0 | 30 | 247.317 | 3 | ↓ |
