| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 21 | No |
Popular Name: 4-(5-bromo-2-methoxy-phenyl)-5-phenyl-1,2,4-triazole-3-thiol 4-(5-bromo-2-methoxy-phenyl)-5-p…
| 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) | 4.78 | 10.08 | -54.17 | 0 | 4 | -1 | 40 | 361.244 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 9.96 | -12.63 | 1 | 4 | 0 | 43 | 362.252 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
