| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 27 | Yes |
Popular Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione 7-[(4-bromophenyl)methyl]-1,3-di…
| 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) | 3.80 | -2.03 | -7.6 | 0 | 7 | 0 | 65 | 432.322 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | -1.73 | -35.92 | 1 | 7 | 1 | 66 | 433.33 | 3 | ↓ |
