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Non-natural sidechain SwissSidechain - AS2

3D view

Name (2r)-2-amino-4-oxobutanoic acid
Molecular Weight [g/mol] 117.10
logP -3.05 (predicted)
Sidechain logP 0.45
Volume [Å3 ] 130.36
Sidechain Volume [Å3 ] 44.70
pKa 1.95 / 8.98 (predicted)
SMILES O=CC[C@@H]([C](=O)=O)[NH3]
D-amino acid code DAS2 ;(PDB: AS2)
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid PDB   |   Ligand
CAS number L/D: 15106-57-7


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