General
Preferred name
Up3U
Synonyms
Up3U ()
P&D ID
PD049272
Tags
drug candidate
Drug indication
Discovery agent
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
4
Properties
(calculated by RDKit )
Molecular Weight
707.01
Hydrogen Bond Acceptors
22
Hydrogen Bond Donors
6
Rotatable Bonds
12
Ring Count
4
Aromatic Ring Count
2
cLogP
-6.2
TPSA
366.41
Fraction CSP3
0.56
Chiral centers
11.0
Largest ring
6.0
QED
0.11
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
