| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 21 | No |
Popular Name: 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDR…
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) | 3.20 | 1.77 | -51.89 | 0 | 4 | -1 | 74 | 285.319 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.37e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSHR-1-E | Glutathione Reductase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3700 | 0.36 | Binding ≤ 10μM |
| Z50136-1-O | Plasmodium Falciparum (isolate FcB1 / Columbia) (cluster #1 Of 3), Other | Other | 3500 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSHR_PLAF7 | O15770 | Glutathione Reductase, Plaf7 | 500 | 0.42 | Binding ≤ 1μM |
| GSHR_PLAF7 | O15770 | Glutathione Reductase, Plaf7 | 3600 | 0.36 | Binding ≤ 10μM |
| GSHR_HUMAN | P00390 | Glutathione Reductase, Human | 1800 | 0.38 | Binding ≤ 10μM |
| Z50136 | Z50136 | Plasmodium Falciparum (isolate FcB1 / Columbia) | 3500 | 0.36 | Functional ≤ 10μM |
