In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 29 | Yes |
Popular Name: (E)-N-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-3-phenyl-but-2-enamide (E)-N-[3-(4-benzylpiperazin-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) | 2.56 | 9.08 | -16.24 | 1 | 5 | 0 | 53 | 391.515 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 11.3 | -56.23 | 2 | 5 | 1 | 54 | 392.523 | 7 | ↓ |