| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2006 | 28 | Yes |
Popular Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methyl-1-piperidyl)-purine-2,6-dione 7-[(4-chlorophenyl)methyl]-1,3-d…
| 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) | 3.91 | 12.08 | -7.93 | 0 | 7 | 0 | 65 | 401.898 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.91 | 12.51 | -36.89 | 1 | 7 | 1 | 66 | 402.906 | 3 | ↓ |
