D3Docking

Job Title:ZSN50-22
Job File:ZSN50-22.mol2
File Link:download

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

Molecular Descriptors:Molecular Weight: 222.1
Lipid-Water partition: 2.03
Number of Hydrogen Bond Acceptors: 6
Number of Hydrogen Bond Donors: 2
Number of Rotatable Bonds: 9
Number of Heavy Atoms: 14
Number of Aliphatic Rings of a Molecular: 0
Number of Aromatic Rings of a Molecular: 0
Topological Polar Suface Area: 74.9
Druglikeness: Excellent
Score:export to excel

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

This site has been visited 3866876 times since Feb 2020.