| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2006 | 10 | Yes |
6-Amino-5-chloro-1H-pyrimidine-2,4-dione
6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione
| 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) | -0.47 | -1.96 | -12.35 | 4 | 5 | 0 | 92 | 161.548 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYPH-2-E | Thymidine Phosphorylase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8300 | 0.71 | Binding ≤ 10μM |
| TYPH-1-B | Thymidine Phosphorylase (cluster #1 Of 2), Bacterial | Bacteria | 4000 | 0.76 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYPH_ECOLI | P07650 | Thymidine Phosphorylase, Ecoli | 4000 | 0.76 | Binding ≤ 10μM |
| TYPH_HUMAN | P19971 | Thymidine Phosphorylase, Human | 8300 | 0.71 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine catabolism | |
| Pyrimidine salvage reactions |
