| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 25 | No |
Popular Name: (E)-3-[4-(2,6-dioxo-3-propyl-7H-purin-8-yl)phenyl]prop-2-enoic (E)-3-[4-(2,6-dioxo-3-propyl-7H-…
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) | 1.95 | 7.52 | -50.77 | 2 | 8 | -1 | 124 | 339.331 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 6.23 | -90.55 | 1 | 8 | -2 | 127 | 338.323 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0203721A2; EP0203721B1; EP0243192A2; US4879296; US4981857; US5015647; US5017577; US5300298 | IBM Patent Data |
