| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 1st, 2009 | 30 | Yes |
Popular Name: 3,7-dimethyl-1-[3-[4-(m-tolylmethyl)piperazin-1-yl]propyl]purine-2,6-dione 3,7-dimethyl-1-[3-[4-(m-tolylmet…
| 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) | 2.08 | 11.78 | -42.62 | 1 | 8 | 1 | 70 | 411.53 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 11.79 | -43.82 | 1 | 8 | 1 | 70 | 411.53 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 9.46 | -13.2 | 0 | 8 | 0 | 68 | 410.522 | 6 | ↓ |
