| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 24 | Yes |
Popular Name: 1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone 1-[4-[(1-ethylimidazol-2-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) | 0.67 | 7.45 | -21.67 | 0 | 6 | 0 | 51 | 348.369 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 7.89 | -39.98 | 1 | 6 | 1 | 52 | 349.377 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 9.64 | -116.24 | 2 | 6 | 2 | 53 | 350.385 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 9.26 | -54.87 | 1 | 6 | 1 | 52 | 349.377 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
