In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2009 | 30 | Yes |
Popular Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(p-tolyl)-1H-pyrazol-5-yl]methanone [4-(1,3-benzodioxol-5-ylmethyl)p…
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) | 3.30 | 7.56 | -12.24 | 1 | 7 | 0 | 71 | 404.47 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 9.64 | -60.15 | 2 | 7 | 1 | 72 | 405.478 | 4 | ↓ |