| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 22 | Yes |
Popular Name: 3-(4-hydroxybutyl)-6-[(3-iodo-4-methyl-phenyl)amino]-1H-pyrimidine-2,4-dione 3-(4-hydroxybutyl)-6-[(3-iodo-4-…
| 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) | 2.87 | 5.3 | -9.87 | 3 | 6 | 0 | 87 | 415.231 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPO3-1-B | DNA Polymerase III (cluster #1 Of 1), Bacterial | Bacteria | 67 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPO3_BACSU | P13267 | DNA Polymerase III, Bacsu | 67 | 0.46 | Binding ≤ 1μM |
| DPO3_BACSU | P13267 | DNA Polymerase III, Bacsu | 67 | 0.46 | Binding ≤ 10μM |
