| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 21st, 2010 | 30 | Yes |
Popular Name: 1-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione 1-[3-[4-[(2-fluorophenyl)methyl]…
| 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) | 1.77 | 11.05 | -42.46 | 1 | 8 | 1 | 70 | 415.493 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 11.06 | -40.87 | 1 | 8 | 1 | 70 | 415.493 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 8.78 | -14.07 | 0 | 8 | 0 | 68 | 414.485 | 6 | ↓ |
