| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 26 | No |
Popular Name: 1-[3-[(2,4-dichlorophenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione 1-[3-[(2,4-dichlorophenyl)methyl…
| 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) | 3.74 | 12.76 | -13.32 | 0 | 6 | 0 | 62 | 413.33 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 13.24 | -48.84 | 1 | 6 | 1 | 63 | 414.338 | 6 | ↓ |
![1-[3-(benzylthio)propyl]-7H-xanthine](http://zinc12.docking.org/img/rings/102800.gif)
