| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 9th, 2006 | 16 | No |
| 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) | 1.69 | -1.78 | -52.79 | 3 | 5 | 1 | 82 | 225.268 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSHR-1-E | Glutathione Reductase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4570 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSHR_HUMAN | P00390 | Glutathione Reductase, Human | 4570 | 0.47 | Binding ≤ 10μM |
