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Non-natural sidechain SwissSidechain - LE1

3D view

Name Penicillamine
Molecular Weight [g/mol] 150.22
logP -1.78
Sidechain logP 1.31 (predicted)
Volume [Å3 ] 162.89
Sidechain Volume [Å3 ] 77.23
pKa 2.56 / 9.09 / 9.85 (predicted)
SMILES [NH3][C@@H](C(S)(C)C)C(=O)O
D-amino acid code DLE1 ;(PDB: LEI)
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid PDB   |   Ligand
PubChem
CAS number L: 1113-41-3  |  D: 52-67-5

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