| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | Yes |
Popular Name: 3-[ethyl-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]amino]propanenitrile 3-[ethyl-[(1S)-1-methyl-2-oxo-2-…
| 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) | 0.77 | 6.99 | -47.35 | 1 | 4 | 1 | 49 | 238.355 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.77 | 4.91 | -10.88 | 0 | 4 | 0 | 47 | 237.347 | 5 | ↓ |
