| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2009 | 21 | Yes |
Popular Name: 4-[[(7-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]benzonitrile 4-[[(7-bromo-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) | 3.28 | 7.92 | -65.54 | 2 | 4 | 1 | 59 | 346.204 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 6.57 | -10.05 | 1 | 4 | 0 | 54 | 345.196 | 4 | ↓ |
