| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 24 | Yes |
Popular Name: 1-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one 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) | 0.78 | 7.36 | -47.34 | 1 | 6 | 1 | 52 | 349.377 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 5.53 | -12.42 | 0 | 6 | 0 | 51 | 348.369 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
