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

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]