| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 24 | Yes |
Popular Name: 7-isobutyl-1,3-dimethyl-8-[(3S)-3-methyl-1-piperidyl]purine-2,6-dione 7-isobutyl-1,3-dimethyl-8-[(3S)-…
| 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) | 2.76 | -1.11 | -7.83 | 0 | 7 | 0 | 65 | 333.436 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | -0.84 | -31 | 1 | 7 | 1 | 66 | 334.444 | 3 | ↓ |
