General
Preferred name
PD012782
Synonyms
P&D ID
PD012782
Tags
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
5
Properties
(calculated by RDKit )
Molecular Weight
884.25
Hydrogen Bond Acceptors
20
Hydrogen Bond Donors
9
Rotatable Bonds
11
Ring Count
7
Aromatic Ring Count
3
cLogP
0.08
TPSA
340.67
Fraction CSP3
0.46
Chiral centers
11.0
Largest ring
6.0
QED
0.05
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
