General
Preferred name
SERTRALINE HYDROCHLORIDE
Synonyms
P&D ID
PD160414
Tags
available
natural product
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
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
305.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
2
cLogP
5.18
TPSA
12.03
Fraction CSP3
0.29
Chiral centers
2.0
Largest ring
6.0
QED
0.81
Structural alerts
1
CAD
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Source data
