| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 19 | No |
Popular Name: 5-(4-Bromo-phenyl)-4-cyclohexyl-4H-[1,2,4]triazole-3-thiol 5-(4-Bromo-phenyl)-4-cyclohexyl-…
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CAS Number: 333767-07-0
| 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) | 4.28 | 10.2 | -9.46 | 1 | 3 | 0 | 34 | 338.274 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.00 | 10.04 | -43.69 | 0 | 3 | -1 | 31 | 337.266 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
