| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 19 | Yes |
Popular Name: N-butyl-5-oxo-1-phenyl-4H-1,2,4-triazole-3-carboxamide N-butyl-5-oxo-1-phenyl-4H-1,2,4-…
| 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) | 1.11 | 4.45 | -8.83 | 2 | 6 | 0 | 80 | 260.297 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 2.59 | -47.28 | 1 | 6 | -1 | 83 | 259.289 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
