| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 29 | No |
Popular Name: 4-(2-ethylphenyl)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-1,2,4-triazole-3-thiolate 4-(2-ethylphenyl)-5-[3-(2,2,3,3-…
| 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) | 5.78 | 12.82 | -56.35 | 0 | 4 | -1 | 40 | 424.443 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.06 | 12.98 | -16.74 | 1 | 4 | 0 | 43 | 425.451 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
