| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2010 | 20 | Yes |
Popular Name: (2S)-2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]propanamide (2S)-2-[4-(4-cyanophenyl)-1,4-di…
| 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) | 1.58 | 5.37 | -44.32 | 3 | 5 | 1 | 75 | 273.36 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 4.07 | -35.05 | 2 | 5 | 0 | 78 | 272.352 | 3 | ↓ |
