| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 13 | No |
Popular Name: 4-Methyl-5-(1-methyl-1H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol 4-Methyl-5-(1-methyl-1H-pyrazol-…
Find On: PubMed — Wikipedia — Google
CAS Number: 1004020-58-9
| 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) | 0.62 | 4.86 | -48.68 | 0 | 5 | -1 | 49 | 194.243 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.11 | 4.8 | -12.11 | 1 | 5 | 0 | 51 | 195.251 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
