| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 21 | Yes |
Popular Name: 2-[4-[2-(4-isopropylpiperazin-1-yl)ethoxy]phenyl]acetonitrile 2-[4-[2-(4-isopropylpiperazin-1-…
| 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) | 2.55 | 7.96 | -36.95 | 1 | 4 | 1 | 41 | 288.415 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 5.75 | -9.83 | 0 | 4 | 0 | 40 | 287.407 | 6 | ↓ |
