| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 19 | No |
Popular Name: 5-[(4-isopropyl-3-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiol 5-[(4-isopropyl-3-methyl-phenoxy…
| 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) | 3.35 | 9.04 | -45.27 | 0 | 4 | -1 | 40 | 276.385 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 9.08 | -14.28 | 1 | 4 | 0 | 43 | 277.393 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
