| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 26 | No |
Popular Name: (E)-3-(2-fluorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide (E)-3-(2-fluorophenyl)-N-[3-meth…
| 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) | 3.77 | 11.43 | -45.85 | 2 | 4 | 1 | 37 | 354.449 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 9.06 | -11.78 | 1 | 4 | 0 | 36 | 353.441 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
