Ligand |
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| Ligand Name: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE | ||
| HET ID: PH2 | PubChem: 135398568 | |
| DrugBank: DB02119 | ChEMBL: CHEMBL1233322 | |
| Canonical SMILES: Nc1nc2NCC(=Nc2c(=O)[nH]1)CO | ||
| Standard InChI: InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14) | ||
| Molecular Formula: C7H9N5O2 | Mol. Weight: 195.17867 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: -1.0028 |
| HBD: 4 | HBA: 6 | TPSA: 116.39 |
| #Bonds: 16 | #Rotatable Bonds: 1 | Shape Complexity: 0.2857143 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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