| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 18 | No |
Popular Name: 5-isopropyl-4-(4-methoxy-3-methyl-phenyl)-1,2,4-triazole-3-thiol 5-isopropyl-4-(4-methoxy-3-methy…
| 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) | 2.51 | 8.53 | -11.07 | 1 | 4 | 0 | 43 | 263.366 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 8.52 | -48.85 | 0 | 4 | -1 | 40 | 262.358 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
