Your session will expire in
60
seconds
Home
Bioactive subsets
Overall Benchmark
Search by Similarity
Search by Parameters
Browse Subset
Upload your own Trajectory
REST API
Help
Introduction
Browse / Search
Analysis
Molecule
Trajectories
PCA
Clusters
Dihedrals
QM
Upload your own Trajectory
REST API
My Workspace
Try it!
4-fluoro-n-methyl-n-{1-[4-(1-methyl-1h-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide (1KS) Summary
Home
4-fluoro-n-methyl-n-{1-[4-(1-methyl-1h-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide (1KS) Summary
PCA
Molecule
Trajectories
PCA
Clusters
Dihedrals
QM
PCA Table
Animation mode
Eigen value (Ų)
Collectivity index
Eigen vector stiffness constant (kcal/(mol*Ų))
1
6.5113
0.6471
91.55
2
5.1662
0.7135
115.39
3
3.3201
0.5957
179.55
4
2.2145
0.0820
269.19
5
2.1558
0.0825
276.52
6
0.9469
0.2232
629.54
7
0.6563
0.6509
908.32
3D View
Fluctuation
PC PLOT (
PC1 vs PC2
)
Change plot
PC1 vs PC2
PC1 vs PC3
PC2 vs PC3
This website uses cookies to ensure you get the best experience on our website.
Our Cookie Policy
Understand