| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 25 | Yes |
Popular Name: [4-[(1S)-1-(2,4-difluorophenyl)ethyl]-1,4-diazepan-1-yl]-(2-pyridyl)methanone [4-[(1S)-1-(2,4-difluorophenyl)e…
| 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) | 2.58 | 11.09 | -45.15 | 1 | 4 | 1 | 38 | 346.401 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 9.15 | -9.5 | 0 | 4 | 0 | 36 | 345.393 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
