| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 20 | No |
None
| 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) | 2.69 | 8.4 | -50.74 | 0 | 4 | -1 | 74 | 271.292 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4191778 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSHR-1-E | Glutathione Reductase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2700 | 0.39 | Binding ≤ 10μM |
| Z50136-1-O | Plasmodium Falciparum (isolate FcB1 / Columbia) (cluster #1 Of 3), Other | Other | 4000 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSHR_HUMAN | P00390 | Glutathione Reductase, Human | 2700 | 0.39 | Binding ≤ 10μM |
| GSHR_PLAF7 | O15770 | Glutathione Reductase, Plaf7 | 4000 | 0.38 | Binding ≤ 10μM |
| Z50136 | Z50136 | Plasmodium Falciparum (isolate FcB1 / Columbia) | 4000 | 0.38 | Functional ≤ 10μM |
