| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 20 | No |
Popular Name: 4-allyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,2,4-triazole-3-thiol 4-allyl-5-[(2,4,6-trimethylpheno…
| 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) | 3.05 | 10.36 | -11.33 | 1 | 4 | 0 | 43 | 289.404 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 10.27 | -45.18 | 0 | 4 | -1 | 40 | 288.396 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
