In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 35 | Yes |
Popular Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,5-diphenylpyrazol-3-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) | 4.19 | 10.88 | -16.69 | 0 | 7 | 0 | 60 | 466.541 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 13.09 | -63.33 | 1 | 7 | 1 | 61 | 467.549 | 5 | ↓ |