| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 24 | Yes |
Popular Name: 1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione 1,3-dimethyl-7-[3-(trifluorometh…
| 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) | 2.53 | 3.39 | -11.59 | 0 | 6 | 0 | 61 | 338.289 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 3.67 | -50.93 | 1 | 6 | 1 | 63 | 339.297 | 3 | ↓ |
