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Non-natural sidechain SwissSidechain - 3CF

3D view

Name 3-cyano-phenylalanine
Molecular Weight [g/mol] 191.21
logP -1.69 (predicted)
Sidechain logP 2.01 (predicted)
Volume [Å3 ] 218.68
Sidechain Volume [Å3 ] 133.02
pKa 1.52 / 0.42 (predicted)
SMILES N#Cc1cccc(c1)C[C@@H](C(=O)O)[NH3]
D-amino acid code D3CF
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem L:  2734509  |  D:  7009411
CAS number L: 57213-48-6  |  D: 263396-43-6


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