| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2009 | 30 | Yes |
Popular Name: (2S)-5-[(1-butyl-4-piperidyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile (2S)-5-[(1-butyl-4-piperidyl)ami…
| 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) | 4.72 | 10.81 | -45.32 | 2 | 5 | 1 | 59 | 416.63 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.72 | 9.74 | -52.67 | 2 | 5 | 1 | 62 | 416.63 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 4.72 | 12.09 | -122.04 | 3 | 5 | 2 | 63 | 417.638 | 12 | ↓ |
