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PolskiSAR Explorer 2D: Structure-Activity Relationship & Lead Optimization
Swap functional groups on a hit compound docked against a simplified receptor pocket, drawn as a flat schematic diagram, and watch predicted potency, LogP, molecular weight and CYP450 metabolic liability update live. ⇄ 3D version
Swap functional groups on a hit compound docked against a simplified receptor pocket, drawn as a flat schematic diagram, and watch predicted potency, LogP, molecular weight and CYP450 metabolic liability update live. This is the 2D Canvas companion to the full 3D SAR Explorer — same underlying scoring model, rendered as a 2D ligand-pocket diagram instead of an orbitable 3D scene.
Swap functional groups (H, F, Cl, OH, NH2, CH3, OCH3, CF3, COOH, tetrazole) at four positions on a hit compound docked in a simplified receptor pocket, drawn as a flat schematic diagram on a Canvas2D surface. Live-updated potency score, cLogP, molecular weight, H-bond donor/acceptor counts, Lipinski Rule of Five compliance and CYP450 metabolic-stability risk demonstrate real medicinal chemistry lead-optimization tradeoffs, including the COOH to tetrazole bioisostere swap.
2D · Canvas2D renderer · 60 FPS target · runs fully client-side, no install