| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 3rd, 2010 | 23 | Yes |
Popular Name: 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N,N-diethyl-acetamide 2-[4-(2-cyanophenyl)-1,4-diazepa…
| 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) | 2.01 | 10.98 | -45.46 | 1 | 5 | 1 | 52 | 315.441 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.01 | 9.24 | -13.02 | 0 | 5 | 0 | 51 | 314.433 | 5 | ↓ |
