| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 19 | Yes |
Popular Name: 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile 2-[4-[2-(4-methylpiperazin-1-yl)…
| 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) | 1.88 | 6.77 | -39.62 | 1 | 4 | 1 | 41 | 260.361 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 6.66 | -40.17 | 1 | 4 | 1 | 41 | 260.361 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 4.4 | -10.07 | 0 | 4 | 0 | 40 | 259.353 | 5 | ↓ |
