| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2008 | 26 | No |
Popular Name: 8-bromo-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]purine-2,6-dione 8-bromo-1,3-dimethyl-7-[2-(3-nit…
| 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) | 2.28 | 9.21 | -19.71 | 0 | 10 | 0 | 125 | 422.195 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 9.69 | -48 | 1 | 10 | 1 | 126 | 423.203 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
