| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 25 | Yes |
Popular Name: 7-[2-(1,3-benzoxazol-2-ylthio)ethyl]-8-bromo-3-methyl-xanthine 7-[2-(1,3-benzoxazol-2-ylthio)et…
| 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) | 2.32 | 4.72 | -12.48 | 1 | 8 | 0 | 99 | 422.264 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 2.05 | -50.2 | 0 | 8 | -1 | 102 | 421.256 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.