| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 20 | No |
Popular Name: 4-(5-bromo-2-methoxy-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-(5-bromo-2-methoxy-phenyl)-5-(…
| 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) | 4.56 | 9.45 | -53.06 | 0 | 4 | -1 | 40 | 367.273 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.84 | 9.26 | -12.87 | 1 | 4 | 0 | 43 | 368.281 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
