| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 26 | No |
Popular Name: 7-acetonyl-8-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-1,3-dimethyl-purine-2,6-dione 7-acetonyl-8-[[(3S,5R)-3,5-dimet…
| 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) | 1.14 | 9.63 | -53.43 | 1 | 8 | 1 | 83 | 362.454 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 7.41 | -13.61 | 0 | 8 | 0 | 82 | 361.446 | 4 | ↓ |
