| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 28th, 2011 | 22 | Yes |
Popular Name: (E)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-3-phenyl-but-2-enamide (E)-N-[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) | 0.89 | 7.03 | -44.73 | 2 | 5 | 1 | 54 | 302.398 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 4.67 | -7.91 | 1 | 5 | 0 | 53 | 301.39 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
