| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 30 | Yes |
Popular Name: 3-methyl-7-(4-methylbenzyl)-8-(phenacylthio)xanthine 3-methyl-7-(4-methylbenzyl)-8-(p…
| 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) | 3.16 | -0.91 | -11.39 | 1 | 7 | 0 | 89 | 420.494 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | -0.66 | -45.86 | 2 | 7 | 1 | 91 | 421.502 | 6 | ↓ |
