| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 24 | Yes |
Popular Name: 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole 2-[4-[2-(2,2,2-trifluoroethoxy)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) | 2.92 | 9.04 | -28.35 | 2 | 5 | 1 | 46 | 343.373 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 8.65 | -10.1 | 1 | 5 | 0 | 44 | 342.365 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 10.55 | -42.28 | 2 | 5 | 1 | 46 | 343.373 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 10.94 | -94.22 | 3 | 5 | 2 | 47 | 344.381 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
