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Non-natural sidechain SwissSidechain - HCS

3D view

Name homocysteine
Molecular Weight [g/mol] 136.19
logP -2.72 (predicted)
Sidechain logP 0.88 (predicted)
Volume [Å3 ] 147.98
Sidechain Volume [Å3 ] 62.32
pKa 2.46 / 9.41 / 10.18 (predicted)
SMILES [NH3][C@H](C(=O)O)CCS
D-amino acid code DHCS
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem L:  91552
CAS number L: 6027-13-0

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
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