| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 17 | No |
Popular Name: 4-methyl-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione 4-methyl-3-[2-(4-nitropyrazol-1-…
| 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) | -0.31 | 6.53 | -21.74 | 1 | 8 | 0 | 97 | 254.275 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 6.37 | -45.19 | 0 | 8 | -1 | 94 | 253.267 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
