| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 21 | No |
Popular Name: 4-(4-methoxy-3-methyl-phenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-(4-methoxy-3-methyl-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) | 3.14 | 8.23 | -48.86 | 0 | 5 | -1 | 53 | 297.363 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 8.18 | -11.71 | 1 | 5 | 0 | 56 | 298.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
