| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 25 | Yes |
Popular Name: 2-(hexylamino)-9-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-ol 2-(hexylamino)-9-[(2S,4S,5S)-4-h…
None
| 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) | 1.19 | 2.4 | -19.55 | 4 | 9 | 0 | 125 | 351.407 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 2600 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH_HHV1S | P06479 | Thymidine Kinase, Hhv1s | 2000 | 0.32 | Functional ≤ 10μM |
