| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 25 | No |
Popular Name: 1-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione 1-[3-[(2-chlorophenyl)methylsulf…
| 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) | 3.08 | 12.25 | -13.97 | 0 | 6 | 0 | 62 | 378.885 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 12.73 | -49.02 | 1 | 6 | 1 | 63 | 379.893 | 6 | ↓ |
![1-[3-(benzylthio)propyl]-7H-xanthine](http://zinc12.docking.org/img/rings/102800.gif)
