D3Docking

Job Title:COILED
Job File:HEP9DP.mol2
File Link:download

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

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