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Non-natural sidechain SwissSidechain - SME

3D view

Name Methionine sulfoxide
Molecular Weight [g/mol] 166.22
logP -3.91 (predicted)
Sidechain logP 0.77 (predicted)
Volume [Å3 ] 183.87
Sidechain Volume [Å3 ] 98.21
pKa 1.74 / 9.51 (predicted)
SMILES C[S@@](=O)CC[C@@H](C(=O)O)[NH3]
D-amino acid code DSME
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem L:  158980
CAS number L: 3226-65-1

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
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