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Non-natural sidechain SwissSidechain - ABA

3D view

Name 2-Aminobutyric acid
Molecular Weight [g/mol] 103.12
logP -2.53
Sidechain logP 1.81
Volume [Å3 ] 126.36
Sidechain Volume [Å3 ] 40.69
pKa 2.62 / 9.53 (predicted)
SMILES CC[C@@H]([C](=O)=O)[NH3]
D-amino acid code DABA ;(PDB: DBB)
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid PDB   |   Ligand
PubChem L:  80283  |  D:  439691
CAS number L: 1492-24-6  |  D: 2623-91-8

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