| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-3-[ethyl-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]amino]-2-methyl-propanenitrile (2S)-3-[ethyl-[(1S)-1-methyl-2-o…
| 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) | 1.84 | 7.4 | -43.24 | 1 | 4 | 1 | 49 | 252.382 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 5.41 | -9.33 | 0 | 4 | 0 | 47 | 251.374 | 5 | ↓ |
