| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 25 | No |
Popular Name: (E)-3-[4-(1-ethyl-3-methyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic (E)-3-[4-(1-ethyl-3-methyl-2,6-d…
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| 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) | 2.46 | 8.96 | -51.04 | 1 | 8 | -1 | 113 | 339.331 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 7.71 | -92.18 | 0 | 8 | -2 | 116 | 338.323 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0203721A2; EP0203721B1; EP0243192A2; US4879296; US5300298 | IBM Patent Data |
