| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2006 | 26 | Yes |
Popular Name: 8-[5-amino-3-(p-tolyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione 8-[5-amino-3-(p-tolyl)pyrazol-1-…
| 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) | 1.70 | 8.18 | -42.36 | 2 | 9 | -1 | 120 | 350.362 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 8.3 | -25.7 | 3 | 9 | 0 | 121 | 351.37 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 9.63 | -35.48 | 4 | 9 | 1 | 118 | 352.378 | 2 | ↓ |
