| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2008 | 15 | No |
Popular Name: 4-isopropyl-5-pyridin-3-yl-4H-1,2,4-triazole-3-thiol 4-isopropyl-5-pyridin-3-yl-4H-1,…
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CAS Number: 90871-42-4
None
| 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) | 1.96 | 6.09 | -45.49 | 0 | 4 | -1 | 44 | 219.293 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 5.96 | -10.82 | 1 | 4 | 0 | 47 | 220.301 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
