| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 20 | Yes |
Popular Name: 3-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]benzonitrile 3-[3-(4-methyl-1,4-diazepan-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) | 2.19 | 7.77 | -37.32 | 1 | 4 | 1 | 41 | 274.388 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 7.22 | -41.76 | 1 | 4 | 1 | 41 | 274.388 | 5 | ↓ |
