| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 16 | Yes |
Popular Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]propanenitrile 3-[(7-bromo-1,3-benzodioxol-5-yl…
| 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) | 1.58 | 3.67 | -10.43 | 1 | 4 | 0 | 54 | 283.125 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 5.03 | -64.5 | 2 | 4 | 1 | 59 | 284.133 | 4 | ↓ |
