Non-natural sidechain SwissSidechain - I2M
3D view
| Name | 3-methyl-l-alloisoleucine |
| Molecular Weight [g/mol] | 146.21 |
| logP | -1.28 (predicted) |
| Sidechain logP | 2.64 (predicted) |
| Volume [Å3 ] | 184.17 |
| Sidechain Volume [Å3 ] | 98.51 |
| pKa | 2.85 / 9.31 (predicted) |
| SMILES | CCC([C@@H](C(=O)O)[NH3])(C)C |
| D-amino acid code | DI2M |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | |
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Download:
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| MOL2 | |
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| 2D structures (PNG) | |
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| Gromacs topology file | |
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