General
Preferred name
Benzathine benzylpenicillin
Synonyms
P&D ID
PD053331
CAS
5928-84-7
Tags
natural product
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
Prestwick Chemical Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
940.35
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
6
Rotatable Bonds
17
Ring Count
8
Aromatic Ring Count
4
cLogP
3.96
TPSA
215.94
Fraction CSP3
0.38
Chiral centers
6.0
Largest ring
6.0
QED
0.07
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
