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Non-natural sidechain SwissSidechain - ESC

3D view

Name Ethionine
Molecular Weight [g/mol] 164.25
logP -1.99 (predicted)
Sidechain logP 1.95
Volume [Å3 ] 196.56
Sidechain Volume [Å3 ] 110.90
pKa 2.61 / 9.5 (predicted)
SMILES CCSCC[C@@H](C(=O)O)[NH3]
D-amino acid code DESC
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem L:  25674  |  D:  92124
CAS number L: 13073-35-3  |  D: 535-32-0

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