| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 20 | Yes |
Popular Name: (2S,3R,4S,5R)-2-(6-amino-2-methyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (2S,3R,4S,5R)-2-(6-amino-2-methy…
| 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) | -0.77 | -4.18 | -14.53 | 5 | 9 | 0 | 140 | 281.272 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.77 | -3.76 | -34.38 | 6 | 9 | 1 | 141 | 282.28 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| G3P-1-E | Glyceraldehyde-3-phosphate Dehydrogenase Liver (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8000 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| G3P_HUMAN | P04406 | Glyceraldehyde-3-phosphate Dehydrogenase Liver, Human | 6000 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Gluconeogenesis | |
| Glycolysis |
