General
Preferred name
PD117935
Synonyms
P&D ID
PD117935
CAS
500-85-6
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
15
Properties
(calculated by RDKit )
Molecular Weight
199.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
1
cLogP
2.16
TPSA
49.66
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.7
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
