Non-natural sidechain SwissSidechain - AS2
3D view
| Name | (2r)-2-amino-4-oxobutanoic acid |
| Molecular Weight [g/mol] | 117.10 |
| logP | -3.05 (predicted) |
| Sidechain logP | 0.45 |
| Volume [Å3 ] | 130.36 |
| Sidechain Volume [Å3 ] | 44.70 |
| pKa | 1.95 / 8.98 (predicted) |
| SMILES | O=CC[C@@H]([C](=O)=O)[NH3] |
| D-amino acid code | DAS2 ;(PDB: AS2) |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | PDB | Ligand |
| PubChem | |
| CAS number | L/D: 15106-57-7 |
Download:
| Files | L-amino acid | D-amino acid | |
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| MOL2 | |
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| 2D structures (PNG) | |
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| backbone-independent rotamers | |
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| Gromacs topology file | |
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| CHARMM topology file | |
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