| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 24 | No |
Popular Name: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione 7-(3-chlorobut-2-enyl)-1,3-dimet…
| 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) | 1.01 | 7.38 | -51.47 | 2 | 8 | 1 | 82 | 353.834 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 7.84 | -108.34 | 3 | 8 | 2 | 83 | 354.842 | 3 | ↓ |
