| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 27 | Yes |
Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(4-methylbenzyl)xanthine 8-(3,5-dimethylpyrazol-1-yl)-3-m…
| 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) | 2.00 | 11.89 | -9.45 | 1 | 8 | 0 | 91 | 364.409 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 9.32 | -51.88 | 0 | 8 | -1 | 94 | 363.401 | 3 | ↓ |
