| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 23rd, 2009 | 21 | Yes |
Popular Name: 1-[4-(carboxymethyloxy)-3-cyano-phenyl]pyrazole-4-carboxylic 1-[4-(carboxymethyloxy)-3-cyano-…
| 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) | 0.36 | 5.68 | -98.7 | 0 | 8 | -2 | 131 | 285.215 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| XDH-2-E | Xanthine Dehydrogenase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| XDH_BOVIN | P80457 | Xanthine Dehydrogenase, Bovin | 1500 | 0.39 | Binding ≤ 10μM |
