| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 20 | No |
Popular Name: 4-Cyclohexyl-5-(2-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol 4-Cyclohexyl-5-(2-methoxy-phenyl…
Find On: PubMed — Wikipedia — Google
CAS Number: 23195-34-8
| 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) | 3.48 | 8.99 | -12.3 | 1 | 4 | 0 | 43 | 289.404 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.20 | 8.83 | -52.98 | 0 | 4 | -1 | 40 | 288.396 | 3 | ↓ |
| 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.
