| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 15 | No |
Popular Name: (E)-4-(4-methyl-1,4-diazepan-1-yl)-4-oxo-but-2-enoic (E)-4-(4-methyl-1,4-diazepan-1-y…
| 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) | -0.41 | 5.18 | -67.4 | 1 | 5 | 0 | 65 | 212.249 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.41 | 2.67 | -49.88 | 0 | 5 | -1 | 64 | 211.241 | 2 | ↓ |
