| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2007 | 24 | No |
Popular Name: 7-acetonyl-1,3-dimethyl-8-(1-piperidylmethyl)purine-2,6-dione 7-acetonyl-1,3-dimethyl-8-(1-pip…
| 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) | 0.43 | 0.85 | -51.33 | 1 | 8 | 1 | 83 | 334.4 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 1.06 | -122.59 | 2 | 8 | 2 | 84 | 335.408 | 4 | ↓ |
