| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2011 | 24 | No |
Popular Name: 2-[4-[(E)-3-(4-ethylpiperazin-1-yl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile 2-[4-[(E)-3-(4-ethylpiperazin-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) | 1.71 | 6.14 | -18.12 | 0 | 6 | 0 | 66 | 329.4 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 8.37 | -57.02 | 1 | 6 | 1 | 67 | 330.408 | 6 | ↓ |
