| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 21 | No |
Popular Name: 4-[(3,4-difluorophenyl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-[(3,4-difluorophenyl)methyl]-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) | 3.07 | 8.75 | -40.17 | 0 | 4 | -1 | 44 | 303.317 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 8.34 | -10.98 | 1 | 4 | 0 | 47 | 304.325 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
