| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 11 | No |
Popular Name: 5-Ethyl-4-isopropyl-4H-1,2,4-triazole-3-thiol 5-Ethyl-4-isopropyl-4H-1,2,4-tri…
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CAS Numbers: , 869941-86-6
| 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) | 0.84 | 5.9 | -10.88 | 1 | 3 | 0 | 34 | 171.269 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 5.8 | -44.84 | 0 | 3 | -1 | 31 | 170.261 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.