General
Preferred name
PD087111
Synonyms
P&D ID
PD087111
Tags
natural product
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
4
Properties
(calculated by RDKit )
Molecular Weight
1619.71
Hydrogen Bond Acceptors
24
Hydrogen Bond Donors
22
Rotatable Bonds
35
Ring Count
4
Aromatic Ring Count
3
cLogP
-5.62
TPSA
702.02
Fraction CSP3
0.53
Chiral centers
13.0
Largest ring
31.0
QED
0.01
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
