Non-natural sidechain SwissSidechain - 4IN
3D view
| Name | 4-amino-l-tryptophan |
| Molecular Weight [g/mol] | 220.25 |
| logP | -1.96 (predicted) |
| Sidechain logP | 1.73 (predicted) |
| Volume [Å3 ] | 240.13 |
| Sidechain Volume [Å3 ] | 154.47 |
| pKa | 1.84 / 9.4 / 3.24 (predicted) |
| SMILES | OC(=O)[C@H](Cc1c[nH]c2c1c(N)ccc2)[NH3] |
| D-amino acid code | D4IN |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | |
| CAS number | L: 540770-50-1 |
Download:
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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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