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Non-natural sidechain SwissSidechain - THIC

3D view

Name Thio-citrulline
Molecular Weight [g/mol] 192.26
logP -0.68 (predicted)
Sidechain logP 0.46 (predicted)
Volume [Å3 ] 212.10
Sidechain Volume [Å3 ] 126.44
pKa 2.69 / 9.23 (predicted)
SMILES OC(=O)[C@H](CCC[NH]=[C](=S)=[NH2])[NH3]
D-amino acid code DTVI
PDB References:
L-amino acid Not available
D-amino acid Not available
CAS number


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