| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 16 | Yes |
Popular Name: (3S)-3-[(3-fluorophenyl)methyl-methyl-amino]pentanenitrile (3S)-3-[(3-fluorophenyl)methyl-m…
| 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) | 2.20 | 8.38 | -45.47 | 1 | 2 | 1 | 28 | 221.299 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 6.51 | -8.09 | 0 | 2 | 0 | 27 | 220.291 | 5 | ↓ |
