| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 28th, 2011 | 23 | No |
Popular Name: (E)-3-(4-chlorophenyl)-2-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]prop-2-enamide (E)-3-(4-chlorophenyl)-2-methyl-…
| 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) | 2.24 | 7.33 | -46.03 | 2 | 5 | 1 | 54 | 336.843 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 4.98 | -8.44 | 1 | 5 | 0 | 53 | 335.835 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
