In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 32 | Yes |
Popular Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide 2-[4-(1,3-benzodioxol-5-ylmethyl…
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) | 2.76 | 9.54 | -52.33 | 2 | 8 | 1 | 73 | 434.52 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.76 | 7.29 | -16.83 | 1 | 8 | 0 | 72 | 433.512 | 6 | ↓ |