| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 21 | Yes |
Popular Name: 2-[3-[[(3-chloro-4-fluoro-phenyl)methylamino]methyl]phenoxy]acetonitrile 2-[3-[[(3-chloro-4-fluoro-phenyl…
| 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) | 3.48 | 8.82 | -58.82 | 2 | 3 | 1 | 50 | 305.76 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 7.46 | -11.58 | 1 | 3 | 0 | 45 | 304.752 | 6 | ↓ |
