| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2006 | 17 | Yes |
Popular Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile 2-[[5-(4-ethylphenyl)-1H-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) | 3.13 | 7.66 | -15.96 | 1 | 4 | 0 | 65 | 244.323 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 7.5 | -38.02 | 0 | 4 | -1 | 64 | 243.315 | 4 | ↓ |
