General
Preferred name
PICROTIN
Synonyms
P&D ID
PD014708
CAS
21416-53-5
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
2
JUMP-Target 1 Compound Set
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
310.11
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
0
cLogP
-0.87
TPSA
105.59
Fraction CSP3
0.87
Chiral centers
8.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
GLRA3
Source data
