| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2011 | 14 | Yes |
Popular Name: (2R)-3-[(4S)-4-ethylazepan-1-yl]-2-methyl-propanenitrile (2R)-3-[(4S)-4-ethylazepan-1-yl]…
| 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) | 2.98 | 8.24 | -43.42 | 1 | 2 | 1 | 28 | 195.33 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 6.45 | -3.9 | 0 | 2 | 0 | 27 | 194.322 | 3 | ↓ |
