| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 12th, 2006 | 28 | No |
Popular Name: DNC014082 DNC014082
| 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) | -3.03 | -6.97 | -93.44 | 5 | 9 | -1 | 166 | 475.341 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LGUL-1-E | Glyoxalase I (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9140 | 0.25 | Binding ≤ 10μM |
| LGUL-1-F | Glyoxalase I (cluster #1 Of 1), Fungal | Fungi | 6280 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LGUL_HUMAN | Q04760 | Glyoxalase I, Human | 4300 | 0.27 | Binding ≤ 10μM |
| LGUL_YEAST | P50107 | Lactoylglutathione Lyase, Yeast | 6280 | 0.26 | Binding ≤ 10μM |
