General
Preferred name
Polymyxin B1
Synonyms
P&D ID
PD013890
CAS
4135-11-9
Tags
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
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
7
Properties
(calculated by RDKit )
Molecular Weight
1202.75
Hydrogen Bond Acceptors
18
Hydrogen Bond Donors
18
Rotatable Bonds
29
Ring Count
2
Aromatic Ring Count
1
cLogP
-5.24
TPSA
490.66
Fraction CSP3
0.7
Chiral centers
13.0
Largest ring
23.0
QED
0.03
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
