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Non-natural sidechain SwissSidechain - KYN

3D view

Name kynurenine
Molecular Weight [g/mol] 209.22
logP -2.18 (predicted)
Sidechain logP 1.63
Volume [Å3 ] 229.38
Sidechain Volume [Å3 ] 143.72
pKa 1.19 / 8.96 / 2.43 (predicted)
SMILES OC(=O)[C@H](CC(=O)c1ccccc1N)[NH3]
D-amino acid code DKYN
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem L:  161166  |  D:  1152206
CAS number L: 2922-83-0  |  D: 13441-51-5

Download:

Files L-amino acid D-amino acid
PDB
MOL2
2D structures (PNG)
backbone-dependent rotamers
backbone-independent rotamers
Gromacs topology file
CHARMM topology file