| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 21 | Yes |
Popular Name: 1-amino-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-2-ol 1-amino-3-[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) | -0.32 | 0.21 | -103.63 | 5 | 6 | 2 | 74 | 295.383 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | -2.49 | -8.8 | 3 | 6 | 0 | 71 | 293.367 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | -2.11 | -53.12 | 4 | 6 | 1 | 73 | 294.375 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 0.27 | -112.46 | 5 | 6 | 2 | 74 | 295.383 | 5 | ↓ |
