| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2005 | 28 | Yes |
Popular Name: 7-[(2-chlorophenyl)methyl]-8-(3,5-dimethyl-1-piperidyl)-3-methyl-purine-2,6-dione 7-[(2-chlorophenyl)methyl]-8-(3,…
| 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) | 3.32 | -1.73 | -7.82 | 1 | 7 | 0 | 75 | 401.898 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | -1.43 | -36.74 | 2 | 7 | 1 | 77 | 402.906 | 3 | ↓ |
