General
Preferred name
Neochebulagic acid
Synonyms
P&D ID
PD127218
Tags
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
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
972.11
Hydrogen Bond Acceptors
26
Hydrogen Bond Donors
15
Rotatable Bonds
8
Ring Count
7
Aromatic Ring Count
4
cLogP
-0.13
TPSA
478.32
Fraction CSP3
0.24
Chiral centers
8.0
Largest ring
12.0
QED
0.06
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
