| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 18 | Yes |
Popular Name: 2-allylsulfanyl-5,6,7,8-tetrahydro-1H-benzothiopheno[3,2-e]pyrimidin-4-one 2-allylsulfanyl-5,6,7,8-tetrahyd…
| 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) | 4.04 | 6.61 | -14.43 | 1 | 3 | 0 | 46 | 278.402 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.50 | 5.25 | -48.51 | 0 | 3 | -1 | 49 | 277.394 | 3 | ↓ |
