Ligand id: 9258

Name: BIIB021

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 91.74
Molecular weight 318.1
XLogP 1.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Ernst JT, Liu M, Zuccola H, Neubert T, Beaumont K, Turnbull A, Kallel A, Vought B, Stamos D. (2014)
Correlation between chemotype-dependent binding conformations of HSP90α/β and isoform selectivity-Implications for the structure-based design of HSP90α/β selective inhibitors for treating neurodegenerative diseases.
Bioorg. Med. Chem. Lett., 24 (1): 204-8. [PMID:24332488]
2. SGC. 
TP-064 A Chemical Probe For PRMT4.
Accessed on 05/04/2017. Modified on 05/04/2017.,