| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2006 | 23 | No |
Popular Name: 4-(2,5-dimethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol 4-(2,5-dimethoxyphenyl)-5-(3-met…
| 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) | 4.45 | 9.41 | -59.25 | 0 | 5 | -1 | 49 | 326.401 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 9.29 | -14.63 | 1 | 5 | 0 | 52 | 327.409 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
