ARION
AI Drug Discovery Platform
BBB Predictor
Chemical Space
BBB Optimizer
Benchmarks
New Project
Dashboard
Dashboard
PLK4
Compounds
Compounds
(3 results)
Scaffold: C1CCC(C2CCC3CCC(C4CCCC(CC5CCCC...
×
All
Green
Yellow
Leads
Scaffolds
SAR Heatmap
Matched Pairs
CSV
SDF
Sort: Platform Rank
Sort: RP-1664 Similarity
Sort: Docking Score
Sort: Platform Score
Sort: BBB Probability
Sort: 3D PSA (lowest)
Sort: MDCK Perm (best)
Sort: MW
Rank
ID
Structure
Score
1664 Sim
Traffic
BBB
Vina
3D PSA
MDCK
TPSA
MW
HBD
SlogP
SA
353
BBP-21435
0.530
0.284
Green
0.75
-7.8
67
-4.7
75
425
3
4.3
3.7
1051
BBP-21770
0.495
0.274
Yellow
0.74
-7.5
64
-4.7
82
390
3
3.3
2.8
1206
BBP-20647
0.487
0.293
Yellow
0.72
-7.2
88
-5.3
89
424
2
2.1
2.9
Compare Selected (
0
)