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Non-natural sidechain SwissSidechain - OBF

3D view

Name (2s)-2-amino-4,4-difluorobutanoic acid
Molecular Weight [g/mol] 140.11
logP -2.16 (predicted)
Sidechain logP 0.75
Volume [Å3 ] 141.26
Sidechain Volume [Å3 ] 55.60
pKa 1.79 / 9.36 (predicted)
SMILES [NH3][C@H](C(=O)O)CC(F)F
D-amino acid code DOBF
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem
CAS number L: 121960-22-3

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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