Job #448 - Compare 1

Created at: Last updated at: Current status:

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 Overall Progress
100.000%
 Ligand Models 1
Name Comp3
2D and 3D depictions 2D Depiction of Compare 1 3D Depiction of Compare 1
SMILES O=C(O)c1cc(F)ccc1C#C/C\2=C/C/C=C2
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10
 Ligand Models 2
Name Comp2
2D and 3D depictions 2D Depiction of Compare 1 3D Depiction of Compare 1
SMILES O=C(O)c1ccccc1C#CC2CCCCC2
Model downloads
SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints
MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10