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Non-natural sidechain SwissSidechain - 3FG

3D view

Name (2s)-amino(3,5-dihydroxyphenyl)-ethanoic acid
Molecular Weight [g/mol] 184.17
logP -2.41 (predicted)
Sidechain logP 0.8
Volume [Å3 ] 191.73
Sidechain Volume [Å3 ] 106.07
pKa 1.37 / 8.01 / 8.78 / 10.82 (predicted)
SMILES OC(=O)[C@H](c1cc(O)cc(c1)O)[NH3]
D-amino acid code D3FG
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem L:  443586
CAS number L: 162870-29-3


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