General
Preferred name
Peg 2000 ms
Synonyms
P&D ID
PD013411
CAS
111-60-4
11107-94-1
9004-99-3
86418-55-5
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
2
NPC Screening Collection
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
328.3
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
18
Ring Count
0
Aromatic Ring Count
0
cLogP
5.78
TPSA
46.53
Fraction CSP3
0.95
Chiral centers
0.0
Largest ring
0.0
QED
0.26
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
