| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 25 | Yes |
Popular Name: 3,7-dimethyl-8-(5-methyl-3-phenyl-pyrazol-1-yl)xanthine 3,7-dimethyl-8-(5-methyl-3-pheny…
| 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) | 1.41 | 10.13 | -9.93 | 1 | 8 | 0 | 91 | 336.355 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 7.46 | -50.07 | 0 | 8 | -1 | 94 | 335.347 | 2 | ↓ |
