| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 26 | No |
Popular Name: 2-[4-[(E)-3-(4-isobutylpiperazin-1-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile 2-[4-[(E)-3-(4-isobutylpiperazin…
| 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) | 2.46 | 9.8 | -56.82 | 1 | 6 | 1 | 67 | 358.462 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 7.85 | -17.97 | 0 | 6 | 0 | 66 | 357.454 | 7 | ↓ |
