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D3Docking
Job Title:
COILED
Job File:
HEP9DP.mol2
File Link:
download
Note:
The 'pml' files in the result should be opened in
PyMOL2
.
Molecular Descriptors:
Molecular Weight: 2073.32
Lipid-Water partition: -14.06
Number of Hydrogen Bond Acceptors: 63
Number of Hydrogen Bond Donors: 42
Number of Rotatable Bonds: 38
Number of Heavy Atoms: 134
Number of Aliphatic Rings of a Molecular: 9
Number of Aromatic Rings of a Molecular: 1
Topological Polar Suface Area: 1120.72
Druglikeness: Maybe bad
Score:
export to excel
Rank
Target Full Name
State
Score
ProteinID
Pocket
Organism
Model Source
Rank
a