| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 24 | Yes |
Popular Name: (2S)-2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-pentan-1-one (2S)-2-amino-1-[4-(1,3-benzodiox…
| 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) | 1.36 | 3.52 | -48.31 | 3 | 6 | 1 | 70 | 334.44 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 3.23 | -9.27 | 2 | 6 | 0 | 68 | 333.432 | 5 | ↓ |
