| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 23 | Yes |
Popular Name: (4-ethyl-1,4-diazepan-1-yl)-[6-(2,2,2-trifluoroethoxy)-3-pyridyl]methanone (4-ethyl-1,4-diazepan-1-yl)-[6-(…
| 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) | 1.53 | 6.26 | -42.4 | 1 | 5 | 1 | 47 | 332.346 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 4.43 | -8.81 | 0 | 5 | 0 | 46 | 331.338 | 5 | ↓ |
