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Non-natural sidechain SwissSidechain - 4CF

3D view

Name 4-cyano-phenylalanine
Molecular Weight [g/mol] 191.21
logP -1.69 (predicted)
Sidechain logP 2.01 (predicted)
Volume [Å3 ] 218.69
Sidechain Volume [Å3 ] 133.03
pKa 1.52 / 9.42 (predicted)
SMILES [NH3][C@H](C(=O)O)Cc1ccc(cc1)C#N
D-amino acid code D4CF
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
CAS number L: 104531-20-6  |  D: 167479-78-9


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