| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 28 | Yes |
Popular Name: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-({4-nitrobenzylidene}amino)-5-methyl-4H-1,2,4-triazole 3-(3,5-dimethyl-1H-pyrazol-1-yl)…
| 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) | 2.79 | 9.5 | -46.95 | 2 | 6 | 1 | 60 | 379.484 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 6.98 | -13.15 | 1 | 6 | 0 | 59 | 378.476 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 9.95 | -86.01 | 3 | 6 | 2 | 61 | 380.492 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
