| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 19 | Yes |
Popular Name: (3S)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]pentanenitrile (3S)-3-[2-(2,3-dihydro-1,4-benzo…
| 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) | 1.73 | 6.78 | -52.53 | 2 | 4 | 1 | 59 | 261.345 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 5.57 | -10.02 | 1 | 4 | 0 | 54 | 260.337 | 6 | ↓ |
