| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2006 | 25 | Yes |
Popular Name: 8-(5-amino-3-phenyl-pyrazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione 8-(5-amino-3-phenyl-pyrazol-1-yl…
| 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) | 1.25 | 7.52 | -42.33 | 2 | 9 | -1 | 120 | 336.335 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 7.64 | -25.8 | 3 | 9 | 0 | 121 | 337.343 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 8.95 | -35.38 | 4 | 9 | 1 | 118 | 338.351 | 2 | ↓ |
