In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 20 | Yes |
Popular Name: 2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone 2-amino-1-[4-(1,3-benzodioxol-5-…
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) | -0.35 | 0.98 | -52.28 | 3 | 6 | 1 | 70 | 278.332 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.35 | 0.58 | -12.3 | 2 | 6 | 0 | 68 | 277.324 | 3 | ↓ |