| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 19 | Yes |
Popular Name: (4-methyl-1,4-diazepan-1-yl)-(3,4,5-trifluorophenyl)methanone (4-methyl-1,4-diazepan-1-yl)-(3,…
| 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) | 1.41 | 7.72 | -43.89 | 1 | 3 | 1 | 25 | 273.278 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 5.7 | -6.8 | 0 | 3 | 0 | 24 | 272.27 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
