| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 25 | Yes |
Popular Name: 2-anilino-9-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-ol 2-anilino-9-[(2R,4S,5S)-4-hydrox…
| 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) | 0.45 | 0.69 | -24.99 | 4 | 9 | 0 | 125 | 343.343 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 300 | 0.37 | Binding ≤ 10μM |
| Q6L709-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 2500 | 0.31 | Binding ≤ 10μM |
| KITH-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 700 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH_HHV1S | P06479 | Thymidine Kinase, Hhv1s | 300 | 0.37 | Binding ≤ 1μM |
| Q6L709_HHV2 | Q6L709 | Thymidine Kinase, Hhv2 | 2500 | 0.31 | Binding ≤ 10μM |
| KITH_HHV1S | P06479 | Thymidine Kinase, Hhv1s | 300 | 0.37 | Binding ≤ 10μM |
| KITH_HHV1S | P06479 | Thymidine Kinase, Hhv1s | 300 | 0.37 | Functional ≤ 10μM |
