| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2005 | 16 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.96 | -4.16 | -6.48 | 4 | 4 | 0 | 77 | 232.312 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTR1-1-E | Pteridine Reductase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTR1_LEIMA | Q01782 | Pteridine Reductase 1, Leima | 600 | 0.54 | Binding ≤ 1μM |
| PTR1_LEIMA | Q01782 | Pteridine Reductase 1, Leima | 600 | 0.54 | Binding ≤ 10μM |
