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Non-natural sidechain SwissSidechain - BTH3

3D view

Name 3-(3-benzothienyl)-alanine
Molecular Weight [g/mol] 221.28
logP 0.49 (predicted)
Sidechain logP 3.30 (predicted)
Volume [Å3 ] 239.68
Sidechain Volume [Å3 ] 154.02
pKa 2.36 / 9.34 (predicted)
SMILES O=[C](=O)[C@H](Cc1csc2c1cccc2)[NH3]
D-amino acid code DTH9
PDB References:
L-amino acid Not available
D-amino acid Not available
CAS number L: 72120-71-9  |  D: 111139-55-0


Files L-amino acid D-amino acid
2D structures (PNG)
backbone-dependent rotamers
backbone-independent rotamers
Gromacs topology file
CHARMM topology file