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 | |
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| MOL2 | |
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| 2D structures (PNG) | |
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| backbone-dependent rotamers | |
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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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