| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 26 | No |
Popular Name: S-Hexylglutathione S-Hexylglutathione
| 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) | -2.99 | -5.97 | -96.42 | 5 | 9 | -1 | 166 | 390.482 | 15 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.00e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSTA1-1-E | Glutathione S-transferase A1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 840 | 0.33 | Binding ≤ 10μM |
| GSTM1-1-E | Glutathione S-transferase Mu 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.31 | Binding ≤ 10μM |
| GSTP1-1-E | Glutathione S-transferase Pi (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSTA1_HUMAN | P08263 | Glutathione S-transferase A1, Human | 840 | 0.33 | Binding ≤ 1μM |
| GSTA1_HUMAN | P08263 | Glutathione S-transferase A1, Human | 840 | 0.33 | Binding ≤ 10μM |
| GSTM1_HUMAN | P09488 | Glutathione S-transferase Mu 1, Human | 2000 | 0.31 | Binding ≤ 10μM |
| GSTP1_HUMAN | P09211 | Glutathione S-transferase Pi, Human | 10000 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Detoxification of Reactive Oxygen Species | |
| Glutathione conjugation |
