| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: (2R)-1-(2,4-difluorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one (2R)-1-(2,4-difluorophenyl)-2-(4…
| 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) | 2.24 | 7.32 | -40.86 | 1 | 3 | 1 | 25 | 283.342 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 7.08 | -40.73 | 1 | 3 | 1 | 25 | 283.342 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 5.16 | -9.86 | 0 | 3 | 0 | 24 | 282.334 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
