| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 17th, 2008 | 24 | No |
Popular Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione 7-[(Z)-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) | 0.59 | 7.31 | -45.44 | 2 | 8 | 1 | 80 | 353.834 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 7.8 | -104.18 | 3 | 8 | 2 | 82 | 354.842 | 3 | ↓ |
