| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2008 | 15 | Yes |
Popular Name: 4-amino-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-2(1H)-pyrimidinone 4-amino-1-[[2-hydroxy-1-(hydroxy…
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CAS Number: 87892-46-4
| 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) | -2.08 | -4.04 | -31.92 | 4 | 7 | 0 | 111 | 215.209 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50518-3-O | Human Herpesvirus 4 (cluster #3 Of 5), Other | Other | 50 | 0.68 | Functional ≤ 10μM |
| Z50529-1-O | Cytomegalovirus (cluster #1 Of 2), Other | Other | 1900 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50529 | Z50529 | Cytomegalovirus | 1900 | 0.53 | Functional ≤ 10μM |
| Z50518 | Z50518 | Human Herpesvirus 4 | 50 | 0.68 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
