| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 24 | Yes |
Popular Name: 5-[2-(3,4-dimethylphenyl)-5-isobutyl-1,2,4-triazol-3-yl]-1H-pyrimidin-6-one 5-[2-(3,4-dimethylphenyl)-5-isob…
None
| 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) | 2.96 | 9.27 | -20.32 | 1 | 6 | 0 | 76 | 323.4 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 7.19 | -51.51 | 0 | 6 | -1 | 80 | 322.392 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
