| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2006 | 18 | Yes |
Popular Name: 2-[[5-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile 2-[[5-(4-ethylphenyl)-4H-1,2,4-t…
| 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) | 3.49 | 8.5 | -7.41 | 1 | 4 | 0 | 65 | 258.35 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 8.14 | -38.24 | 0 | 4 | -1 | 64 | 257.342 | 4 | ↓ |
