| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 25 | No |
Popular Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione 7-[(Z)-3-chlorobut-2-enyl]-8-(4-…
| 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) | 0.97 | -2.7 | -44.25 | 2 | 8 | 1 | 80 | 367.861 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | -2.41 | -103.77 | 3 | 8 | 2 | 82 | 368.869 | 4 | ↓ |
