| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 20 | No |
Popular Name: 9-[[(1S,4S)-4-hydroxy-4-oxo-3,6-dioxa-4$l^{5}-phosphacyclohex-1-yl]methyl]purine-2,6-diamine 9-[[(1S,4S)-4-hydroxy-4-oxo-3,6-…
| 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) | -1.06 | 1.97 | -54.92 | 4 | 10 | -1 | 154 | 299.207 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.06 | 2.47 | -57.97 | 5 | 10 | 0 | 155 | 300.215 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 770 | 0.43 | Functional ≤ 10μM |
| Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 530 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50530 | Z50530 | Human Herpesvirus 5 | 10000 | 0.35 | Functional ≤ 10μM |
| Z50600 | Z50600 | Vaccinia Virus | 530 | 0.44 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
