alloswitch-1

Ligand id: 8543

Name: alloswitch-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 75.94
Molecular weight 366.09
XLogP 5.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Hauwert NJ, Mocking TAM, Da Costa Pereira D, Kooistra AJ, Wijnen LM, Vreeker GCM, Verweij EWE, De Boer AH, Smit MJ, De Graaf C et al.. (2018)
Synthesis and Characterization of a Bidirectional Photoswitchable Antagonist Toolbox for Real-Time GPCR Photopharmacology.
J. Am. Chem. Soc., 140 (12): 4232-4243. [PMID:29470065]
2. Pittolo S, G√≥mez-Santacana X, Eckelt K, Rovira X, Dalton J, Goudet C, Pin JP, Llobet A, Giraldo J, Llebaria A et al.. (2014)
An allosteric modulator to control endogenous G protein-coupled receptors with light.
Nat. Chem. Biol., 10 (10): 813-5. [PMID:25173999]