| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 29 | Yes |
Popular Name: 8-[(3S,5R)-3,5-dimethyl-1-piperidyl]-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione 8-[(3S,5R)-3,5-dimethyl-1-piperi…
| 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) | 4.13 | 13.96 | -9.07 | 0 | 7 | 0 | 65 | 395.507 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.13 | 13.27 | -34.05 | 1 | 7 | 1 | 66 | 396.515 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.13 | 14.24 | -41 | 1 | 7 | 1 | 66 | 396.515 | 3 | ↓ |
