| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 16 | No |
Popular Name: 5-(2-Fluoro-phenyl)-4-isopropyl-4H-[1,2,4]triazole-3-thiol 5-(2-Fluoro-phenyl)-4-isopropyl-…
| 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) | 2.42 | 7.66 | -9.9 | 1 | 3 | 0 | 34 | 237.303 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 7.93 | -50.26 | 0 | 3 | -1 | 31 | 236.295 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
