| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 20 | Yes |
Popular Name: 2-(1,4-diazepan-1-yl)-5-(trifluoromethyl)-1,3-benzoxazole 2-(1,4-diazepan-1-yl)-5-(trifluo…
| 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) | 2.39 | 5.11 | -48.38 | 2 | 4 | 1 | 46 | 286.277 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 3.77 | -6.95 | 1 | 4 | 0 | 41 | 285.269 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
