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Non-natural sidechain SwissSidechain - 2AS

3D view

Name 3-methyl-aspartic acid
Molecular Weight [g/mol] 147.13
logP -2.41 (predicted)
Sidechain logP 0.33
Volume [Å3 ] 155.96
Sidechain Volume [Å3 ] 70.29
pKa 1.87 / 9.68 / 3.55 (predicted)
SMILES OC(=O)[C@H]([C@@H]([C](=O)=O)C)[NH3]
D-amino acid code D2AS
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem L/D:  852
CAS number L/D: 6667-60-3

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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