| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 17 | Yes |
Popular Name: 8-bromo-7-(3-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione 8-bromo-7-(3-hydroxypropyl)-3-me…
| 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) | -0.18 | 0.82 | -9.09 | 2 | 7 | 0 | 93 | 303.116 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.27 | -1.84 | -47.12 | 1 | 7 | -1 | 96 | 302.108 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.