Job Title:title_211019184754
Job File:gansu.mol2
File Link:download

The 'pml' files in the result should be opened inPyMOL2.

Molecular Descriptors:Molecular Weight: 0
Lipid-Water partition: 0
Number of Hydrogen Bond Acceptors:
Number of Hydrogen Bond Donors:
Number of Rotatable Bonds:
Number of Heavy Atoms:
Number of Aliphatic Rings of a Molecular:
Number of Aromatic Rings of a Molecular:
Topological Polar Suface Area: 0
Score:export to excel

a: Docking score rank with 99 representative structures from 2103 FDA approved drugs, the topper the better (e.g., 3 is better than 20).

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