| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
| 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) | -1.42 | -6.75 | -19.2 | 3 | 7 | 0 | 104 | 260.221 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH-1-E | Thymidine Kinase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 180 | 0.52 | Binding ≤ 10μM |
| Z50587-5-O | Homo Sapiens (cluster #5 Of 9), Other | Other | 100 | 0.54 | Functional ≤ 10μM |
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 830 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH_HUMAN | P04183 | Thymidine Kinase, Cytosolic, Human | 180 | 0.52 | Binding ≤ 1μM |
| KITH_HUMAN | P04183 | Thymidine Kinase, Cytosolic, Human | 1400 | 0.46 | Binding ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 130 | 0.54 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 100 | 0.54 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine salvage reactions |
