In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 14 | Yes |
Popular Name: 1-[2-(3-thienyl)ethyl]-1,2,4-triazole-3-carbonitrile 1-[2-(3-thienyl)ethyl]-1,2,4-tri…
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) | 0.71 | 6.7 | -10.21 | 0 | 4 | 0 | 55 | 204.258 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.