| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 16 | Yes |
Popular Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]propanenitrile 3-[(7-chloro-1,3-benzodioxol-5-y…
| 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) | 1.45 | 3.57 | -10.56 | 1 | 4 | 0 | 54 | 238.674 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 4.92 | -64.75 | 2 | 4 | 1 | 59 | 239.682 | 4 | ↓ |
