General
Preferred name
PD086247
Synonyms
P&D ID
PD086247
Tags
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
LSP-MoA library (Laboratory of Systems Pharmacology)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
530.15
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
0
Rotatable Bonds
7
Ring Count
5
Aromatic Ring Count
3
cLogP
4.21
TPSA
69.06
Fraction CSP3
0.38
Chiral centers
2.0
Largest ring
6.0
QED
0.46
Structural alerts
1
anil_di_alk_C(246)
c:1:c:c(:c:c:c:1-[#8]-[#6;X4])-[#7;$([#7!H0]-[#6;X4]),$([#7](-[#6;X4])-[#6;X4])]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
