| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 21 | No |
Popular Name: 4-(4-fluoro-2-methoxy-phenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-(4-fluoro-2-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 | 7.75 | -49.13 | 0 | 5 | -1 | 53 | 301.326 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.12 | 7.62 | -12.38 | 1 | 5 | 0 | 56 | 302.334 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
