| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2010 | 27 | Yes |
Popular Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide N-[2-(1,3-benzodioxol-5-yl)ethyl…
| 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) | 1.96 | 6.69 | -41.21 | 3 | 7 | 1 | 80 | 369.445 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 5.44 | -15.2 | 2 | 7 | 0 | 76 | 368.437 | 5 | ↓ |
