| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2010 | 19 | Yes |
Popular Name: 3-[[(3-bromo-5-fluoro-phenyl)methylamino]methyl]benzonitrile 3-[[(3-bromo-5-fluoro-phenyl)met…
| 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) | 3.53 | 9.32 | -60.3 | 2 | 2 | 1 | 40 | 320.185 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 7.96 | -7.28 | 1 | 2 | 0 | 36 | 319.177 | 4 | ↓ |
