| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2006 | 25 | No |
Popular Name: 3-methyl-7-(2-methyl-2-propenyl)-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione 3-methyl-7-(2-methyl-2-propenyl)…
| 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) | 4.62 | -0.26 | -7.01 | 1 | 6 | 0 | 72 | 364.515 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.62 | -0.01 | -35.72 | 2 | 6 | 1 | 73 | 365.523 | 10 | ↓ |
