| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 20 | No |
Popular Name: GSH GSH
Find On: PubMed — Wikipedia — Google
CAS Numbers: 70-18-8 , 76946-74-2 , [70-18-8]
2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid
?-L-Glutamyl-L-cysteinylglycine
gamma-glutamylcysteinylglycine
| 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) | -4.49 | -7.11 | -87.83 | 5 | 9 | -1 | 166 | 306.32 | 9 | ↓ |
| Hi High (pH 8-9.5) | -4.49 | -8.07 | -138.44 | 5 | 9 | -2 | 166 | 305.312 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 6.79 | -93.44 | 7 | 7 | 2 | 113 | 440.498 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 192 - 195 | Enamine Building Blocks |
| MP | 192...195 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Melting_Point | ca 193? dec. | Alfa-Aesar |
| Melting_Point | ca 193° dec. | Alfa-Aesar |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSTK1-1-E | Glutathione S-transferase Kappa 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSTK1_HUMAN | Q9Y2Q3 | Glutathione S-transferase Kappa 1, Human | 20 | 0.54 | Binding ≤ 1μM |
| GSTK1_HUMAN | Q9Y2Q3 | Glutathione S-transferase Kappa 1, Human | 20 | 0.54 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.