| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 13th, 2010 | 20 | Yes |
Popular Name: 2-[4-[[(3-chlorophenyl)methylamino]methyl]phenoxy]acetonitrile 2-[4-[[(3-chlorophenyl)methylami…
| 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) | 3.39 | 8.77 | -55.56 | 2 | 3 | 1 | 50 | 287.77 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 7.41 | -9.26 | 1 | 3 | 0 | 45 | 286.762 | 6 | ↓ |
