| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 15 | Yes |
Popular Name: (2S)-3-[(3-chloro-4-fluoro-phenyl)methylamino]-2-methyl-propanenitrile (2S)-3-[(3-chloro-4-fluoro-pheny…
| 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) | 2.80 | 5.71 | -8.38 | 1 | 2 | 0 | 36 | 226.682 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.80 | 6.93 | -62.21 | 2 | 2 | 1 | 40 | 227.69 | 4 | ↓ |
