| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2009 | 20 | Yes |
Popular Name: 3-[4-fluoro-2-[(1S)-1-(methylamino)ethyl]phenoxy]benzonitrile 3-[4-fluoro-2-[(1S)-1-(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) | 3.63 | 8.53 | -44.48 | 2 | 3 | 1 | 50 | 271.315 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 7.32 | -6.64 | 1 | 3 | 0 | 45 | 270.307 | 4 | ↓ |
