| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 29th, 2006 | 17 | Yes |
Popular Name: DNC014300 DNC014300
| 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) | 1.05 | 4.64 | -11.07 | 1 | 5 | 0 | 67 | 223.239 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 4.52 | -39.9 | 0 | 5 | -1 | 66 | 222.231 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.05 | 5.09 | -42.57 | 2 | 5 | 1 | 69 | 224.247 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 242 | MolMall (formerly Molecular Diversity Preservation International) |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| XDH-1-E | Xanthine Dehydrogenase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 170 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| XDH_BOVIN | P80457 | Xanthine Dehydrogenase, Bovin | 170 | 0.56 | Binding ≤ 1μM |
| XDH_BOVIN | P80457 | Xanthine Dehydrogenase, Bovin | 170 | 0.56 | Binding ≤ 10μM |
