| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 23 | Yes |
Popular Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-(methylthio)xanthine 1,3-dimethyl-7-(4-methylbenzyl)-…
| 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) | 3.02 | 9.7 | -8.93 | 0 | 6 | 0 | 62 | 330.413 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 10.16 | -35.9 | 1 | 6 | 1 | 63 | 331.421 | 3 | ↓ |
