| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 20 | Yes |
Popular Name: 2-[4-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]phenyl]acetonitrile 2-[4-[2-(4-methyl-1,4-diazepan-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) | 2.15 | 7.83 | -36.71 | 1 | 4 | 1 | 41 | 274.388 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 5.59 | -9.51 | 0 | 4 | 0 | 40 | 273.38 | 5 | ↓ |
