General
Preferred name
PD126040
Synonyms
P&D ID
PD126040
CAS
1057-07-4
Tags
natural product
available
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
12
Properties
(calculated by RDKit )
Molecular Weight
394.25
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
1
cLogP
5.82
TPSA
43.37
Fraction CSP3
0.69
Chiral centers
7.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
