| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 14 | No |
Popular Name: 4-methyl-3-[(4-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione 4-methyl-3-[(4-methylpyrazol-1-y…
| 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) | -0.03 | 5.81 | -18.05 | 1 | 5 | 0 | 51 | 209.278 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.70 | 5.61 | -47.87 | 0 | 5 | -1 | 49 | 208.27 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
