| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 25 | No |
Popular Name: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione 7-[(Z)-3-chlorobut-2-enyl]-1,3-d…
| 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) | 1.61 | 9.78 | -50.05 | 1 | 8 | 1 | 70 | 367.861 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 7.31 | -7.75 | 0 | 8 | 0 | 68 | 366.853 | 3 | ↓ |
