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D3Docking
Job Title:
title_QQQ12
Job File:
龙胆酸.sdf
File Link:
download
Note:
The 'pml' files in the result should be opened in
PyMOL2
.
Molecular Descriptors:
Molecular Weight: 154.03
Lipid-Water partition: 0.8
Number of Hydrogen Bond Acceptors: 3
Number of Hydrogen Bond Donors: 3
Number of Rotatable Bonds: 1
Number of Heavy Atoms: 11
Number of Aliphatic Rings of a Molecular: 0
Number of Aromatic Rings of a Molecular: 1
Topological Polar Suface Area: 77.76
Druglikeness: Excellent
Score:
export to excel
Rank
Target Full Name
State
Score
ProteinID
Pocket
Organism
Model Source
Rank
a