General
Preferred name
PENITREM A
Synonyms
P&D ID
PD040509
CAS
12627-35-9
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
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
633.29
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
1
Ring Count
10
Aromatic Ring Count
2
cLogP
5.66
TPSA
107.47
Fraction CSP3
0.68
Chiral centers
13.0
Largest ring
8.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Target
Potassium Channel
Source data
