| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 20th, 2008 | 26 | Yes |
Popular Name: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-bromo-3-methyl-purine-2,6-dione 7-[3-(1,3-benzoxazol-2-ylsulfany…
| 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) | 2.59 | 5.52 | -12.94 | 1 | 8 | 0 | 99 | 436.291 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 2.84 | -49.99 | 0 | 8 | -1 | 102 | 435.283 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.