| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 25th, 2011 | 14 | Yes |
Popular Name: (2S)-2-methyl-3-[4-(methylaminomethyl)-1-piperidyl]propanenitrile (2S)-2-methyl-3-[4-(methylaminom…
| 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) | 1.43 | 6.24 | -102.33 | 3 | 3 | 2 | 45 | 197.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 4.39 | -43.77 | 2 | 3 | 1 | 44 | 196.318 | 4 | ↓ |
