Ligand id: 8607

Name: Ala(1-naph)-Pro-CN

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 70.12
Molecular weight 293.15
XLogP 4.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bachovchin DA, Koblan LW, Wu W, Liu Y, Li Y, Zhao P, Woznica I, Shu Y, Lai JH, Poplawski SE et al.. (2014)
A high-throughput, multiplexed assay for superfamily-wide profiling of enzyme activity.
Nat. Chem. Biol.10 (8): 656-63. [PMID:24997602]