Note: Size_x/y/z is the length of box..
Note: Center_x/y/z is the center coordinate of the box.
Note: 100,000 molecules selected in order from "All Purchasable" subset of ZINC database
Note ： The job_id will send to your email address after submitting your job. you can view the job'result by the job_id.
Molecular Weight (MW)
Hydrogen Bond Acceptors (HBA)
Partition Coefficient (SlogP)
Hydrogen Bond Donors (HBD)
Topological Polar Surface Area (TPSA)
Rotatable Bonds (RotB)
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Download the min_conf.zip Download
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