| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2009 | 18 | Yes |
Popular Name: (3S)-3-[(3,4-dimethoxyphenyl)methylamino]pentanenitrile (3S)-3-[(3,4-dimethoxyphenyl)met…
| 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) | 1.47 | 6.04 | -53.17 | 2 | 4 | 1 | 59 | 249.334 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 4.82 | -10.04 | 1 | 4 | 0 | 54 | 248.326 | 7 | ↓ |
