In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 23 | No |
Popular Name: (Z)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-but-2-enoic (Z)-4-[4-(1,3-benzodioxol-5-ylme…
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) | 0.61 | 5.64 | -61.03 | 0 | 7 | -1 | 82 | 317.321 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.61 | 7.85 | -87.58 | 1 | 7 | 0 | 83 | 318.329 | 4 | ↓ |