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Non-natural sidechain SwissSidechain - ILX

3D view

Name 4,5-dihydroxy-isoleucine
Molecular Weight [g/mol] 163.17
logP -2.99 (predicted)
Sidechain logP -0.18 (predicted)
Volume [Å3 ] 187.58
Sidechain Volume [Å3 ] 101.92
pKa 2.2 / 8.9 (predicted)
SMILES OC[C@@H]([C@@H]([C@@H]([C](=O)=O)[NH3])C)O
D-amino acid code DILX
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem
CAS number

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Files L-amino acid D-amino acid
PDB
MOL2
2D structures (PNG)
backbone-dependent rotamers
backbone-independent rotamers
Gromacs topology file
CHARMM topology file