| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 23 | Yes |
Popular Name: 1-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone 1-[4-[(1-methylpyrazol-4-yl)meth…
| 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) | 0.51 | 7.67 | -54.14 | 1 | 6 | 1 | 52 | 335.35 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 5.82 | -19.34 | 0 | 6 | 0 | 51 | 334.342 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
