Step 2. Review the 3D structure & Select a calculation module
This step provides an interface to review the 3D structure of the molecule you input/uploaded. After that, you can select a module to perform your calculation. It will lead you to the detailed parameter input page according to your selection. Currently, four independent modules are available.

  • Conformational search
  • ΔGsolv calculation
  • pKa calculation
  • log K calculation


  • Start from "Step 1. Input a compound"