| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | No |
Popular Name: 4-(3-fluoro-4-methoxy-phenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-(3-fluoro-4-methoxy-phenyl)-5-…
| 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) | 2.85 | 7.57 | -46.03 | 0 | 5 | -1 | 53 | 301.326 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 7.5 | -13.02 | 1 | 5 | 0 | 56 | 302.334 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
