| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2011 | 14 | Yes |
Popular Name: 4-((1H-1,2,4-Triazol-3-yl)methyl)benzonitrile 4-((1H-1,2,4-Triazol-3-yl)methyl…
Find On: PubMed — Wikipedia — Google
CAS Number: 112809-25-3
| 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) | 1.21 | 6.35 | -10.05 | 1 | 4 | 0 | 65 | 184.202 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
