| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 20 | No |
Popular Name: 4-[2-fluoro-5-(trifluoromethyl)phenyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[2-fluoro-5-(trifluoromethyl)p…
| 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) | 3.27 | 9.69 | -11.35 | 1 | 3 | 0 | 34 | 305.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 9.65 | -48.21 | 0 | 3 | -1 | 31 | 304.292 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
