| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 19 | No |
Popular Name: 1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]butane-1,3-dione 1-[4-(2-thienylmethyl)-1,4-diaze…
| 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) | 0.94 | 9.69 | -51.41 | 1 | 4 | 1 | 42 | 281.401 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 7.8 | -19.09 | 0 | 4 | 0 | 41 | 280.393 | 4 | ↓ |
