| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2009 | 23 | No |
Popular Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione 7-[(E)-3-chlorobut-2-enyl]-3-met…
| 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) | 0.00 | 5.42 | -60.59 | 3 | 8 | 1 | 93 | 339.807 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 3.99 | -9.9 | 2 | 8 | 0 | 88 | 338.799 | 3 | ↓ |
