| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 20 | No |
| 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) | -0.90 | -9.42 | -18.54 | 4 | 8 | 0 | 124 | 349.137 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 3200 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH_VZVD | P09250 | Thymidine Kinase, Vzvd | 3200 | 0.38 | Binding ≤ 10μM |
| KITH_HHV1S | P06479 | Thymidine Kinase, Hhv1s | 3600 | 0.38 | Binding ≤ 10μM |
