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Non-natural sidechain SwissSidechain - CIR

3D view

Name Citrulline
Molecular Weight [g/mol] 175.19
logP -3.19
Sidechain logP -0.14 (predicted)
Volume [Å3 ] 198.96
Sidechain Volume [Å3 ] 113.30
pKa 2.27 / 9.23 (predicted)
SMILES OC(=O)[C@H](CCC[NH]=[C](=O)=[NH2])[NH3]
D-amino acid code DCIR
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem L:  9750  |  D:  637599
CAS number L: 372-75-8  |  D: 13594-51-9


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