Computed Properties of C3H3BrN2In 1993 ,《QSAR’s from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods》 appeared in Journal of Medicinal Chemistry. The author of the article were Good, Andrew C.; Peterson, Stephen J.; Richards, W. Graham. The article conveys some information:
It has recently been shown that good quant. structure-activity relationships can be obtained through statistical anal. of mol. similarity matrixes. Here we extend the technique to seven addnl. mol. series, previously studied using Comparative Mol. Field Anal. (CoMFA) methodol. The results are used to confirm technique applicability across a wider range of QSAR problems and to compare quant. the ability of various similarity indexes to describe biol. systems. The relative merits of this technique in comparison to CoMFA are discussed. In addition to this study using 2-Bromo-1H-imidazole, there are many other studies that have used 2-Bromo-1H-imidazole(cas: 16681-56-4Computed Properties of C3H3BrN2) was used in this study.
2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Computed Properties of C3H3BrN2
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem