| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 25 | Yes |
Popular Name: 7-[(2-bromophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione 7-[(2-bromophenyl)methyl]-8-(2-h…
| 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) | 1.96 | 7.28 | -9.73 | 2 | 8 | 0 | 94 | 408.256 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 7.71 | -33.03 | 3 | 8 | 1 | 95 | 409.264 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
