General
Preferred name
PD063024
Synonyms
P&D ID
PD063024
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
7
Properties
(calculated by RDKit )
Molecular Weight
527.18
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
5
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
2
cLogP
1.03
TPSA
185.84
Fraction CSP3
0.44
Chiral centers
6.0
Largest ring
6.0
QED
0.31
Structural alerts
3
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Intercalation
Nuisance compounds in cellular assays
Optical interference
Fluorescence
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Source data
