| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 19 | Yes |
Popular Name: (2S)-3-[[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-ethyl-amino]-2-methyl-propanenitrile (2S)-3-[[(1S)-2-(azepan-1-yl)-1-…
| 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) | 2.34 | 8.65 | -44.26 | 1 | 4 | 1 | 49 | 266.409 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 6.73 | -9.71 | 0 | 4 | 0 | 47 | 265.401 | 5 | ↓ |
