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Non-natural sidechain SwissSidechain - PFF

3D view

Name 4-Fluoro-Phenylalanine
Molecular Weight [g/mol] 184.19
logP -1.89
Sidechain logP 2.58
Volume [Å3 ] 203.09
Sidechain Volume [Å3 ] 117.42
pKa 1.86 / 9.45 (predicted)
SMILES [NH3][C@H](C(=O)O)Cc1ccc(cc1)F
D-amino acid code DPFF
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem L:  716312
CAS number L: 1132-68-9  |  D: 18125-46-7

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