| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 23 | Yes |
Popular Name: 6-[(3-iodo-4-methyl-phenyl)amino]-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione 6-[(3-iodo-4-methyl-phenyl)amino…
| 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) | 3.49 | 7.71 | -9.06 | 2 | 6 | 0 | 76 | 429.258 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPO3-1-B | DNA Polymerase III (cluster #1 Of 1), Bacterial | Bacteria | 310 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPO3_BACSU | P13267 | DNA Polymerase III, Bacsu | 310 | 0.40 | Binding ≤ 1μM |
| DPO3_BACSU | P13267 | DNA Polymerase III, Bacsu | 310 | 0.40 | Binding ≤ 10μM |
