| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | No |
Popular Name: (E)-4-[4-[2-(dimethylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-4-oxo-but-2-enoic (E)-4-[4-[2-(dimethylamino)-2-ox…
| 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) | -1.50 | 6.3 | -68.69 | 1 | 7 | 0 | 85 | 283.328 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.50 | 4.56 | -52.3 | 0 | 7 | -1 | 84 | 282.32 | 4 | ↓ |
