| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | No |
Popular Name: 4-[3-(4-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]benzonitrile 4-[3-(4-pyridyl)-5-sulfanyl-1,2,…
| 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) | 2.03 | 8.66 | -42.84 | 0 | 5 | -1 | 67 | 278.32 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 8.58 | -12.69 | 1 | 5 | 0 | 70 | 279.328 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
