| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 28 | Yes |
Popular Name: 7-[(2-chlorophenyl)methyl]-8-[(3S,5R)-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 | 11.57 | -8.96 | 1 | 7 | 0 | 76 | 401.898 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | 12.36 | -33.18 | 2 | 7 | 1 | 77 | 402.906 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 12.16 | -28.57 | 2 | 7 | 1 | 77 | 402.906 | 3 | ↓ |
