| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | No |
Popular Name: 4-Ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-[1,2,4]-triazole-3-thiol 4-Ethyl-5-(1-ethyl-1H-pyrazol-3-…
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CAS Number: 1001559-22-3
4-ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
| 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) | 1.37 | 6.61 | -49.32 | 0 | 5 | -1 | 49 | 222.297 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 6.54 | -11.53 | 1 | 5 | 0 | 51 | 223.305 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.