| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2005 | 22 | No |
Popular Name: 7-(3-chlorobut-2-enyl)-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione 7-(3-chlorobut-2-enyl)-3-methyl-…
| 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) | 1.10 | 8.37 | -9.83 | 1 | 7 | 0 | 76 | 323.784 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.10 | 8.57 | -43.33 | 2 | 7 | 1 | 77 | 324.792 | 3 | ↓ |
