| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 16 | Yes |
Popular Name: 1-cyclohexa-1,4-dien-1-yl-2-methyl-5-oxo-1,2,4-triazole-3-carboxylic 1-cyclohexa-1,4-dien-1-yl-2-meth…
| 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) | 0.02 | 3.54 | -32.76 | 2 | 6 | 1 | 78 | 222.224 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.02 | 2.38 | -15.48 | 1 | 6 | 0 | 77 | 221.216 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
