| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2006 | 16 | 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) | -0.95 | -5.33 | -19.5 | 4 | 7 | 0 | 109 | 223.236 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH-1-E | Thymidine Kinase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2060 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH_HUMAN | P04183 | Thymidine Kinase, Cytosolic, Human | 2060 | 0.50 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine salvage reactions |
