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Non-natural sidechain SwissSidechain - TIH

3D view

Name 3-(2-thienyl)-alanine
Molecular Weight [g/mol] 172.22
logP -1.69 (predicted)
Sidechain logP 2.33
Volume [Å3 ] 188.84
Sidechain Volume [Å3 ] 103.18
pKa 2.05 / 9.27 (predicted)
SMILES OC(=O)[C@H](Cc1cccs1)[NH3]
D-amino acid code DTIH
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem L:  146719  |  D:  7111750
CAS number L: 22951-96-8  |  D: 62561-76-6

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