| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 26 | No |
Popular Name: 7-(3-chlorobut-2-enyl)-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione 7-(3-chlorobut-2-enyl)-8-(4-ethy…
| 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) | 1.98 | 10.26 | -48.54 | 1 | 8 | 1 | 70 | 381.888 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 10.7 | -110.43 | 2 | 8 | 2 | 71 | 382.896 | 4 | ↓ |
