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Non-natural sidechain SwissSidechain - BIU

3D view

Name 5-bromo-l-isoleucine
Molecular Weight [g/mol] 211.08
logP -1.45 (predicted)
Sidechain logP 2.75
Volume [Å3 ] 196.65
Sidechain Volume [Å3 ] 110.99
pKa 2.26 / 9.56 (predicted)
SMILES C[C@H]([C@@H](C(=O)O)[NH3])CCBr
D-amino acid code DBIU
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
CAS number


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