| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 19 | Yes |
Popular Name: 1-(4-ethyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)ethanone 1-(4-ethyl-1,4-diazepan-1-yl)-2-…
| 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) | 2.17 | 9.25 | -43.46 | 1 | 3 | 1 | 25 | 265.352 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 7.4 | -9.59 | 0 | 3 | 0 | 24 | 264.344 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
