| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | No |
Popular Name: (E)-4-oxo-4-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]but-2-enoic (E)-4-oxo-4-[4-(2-thienylmethyl)…
| 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) | 0.89 | 8.82 | -68.33 | 1 | 5 | 0 | 65 | 294.376 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 6.94 | -48.33 | 0 | 5 | -1 | 64 | 293.368 | 4 | ↓ |
