| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2006 | 22 | Yes |
Popular Name: 3-isobutylsulfanyl-9-(p-tolyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one 3-isobutylsulfanyl-9-(p-tolyl)-2…
| 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) | 3.85 | 8.49 | -13.69 | 1 | 5 | 0 | 64 | 314.414 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.31 | 7.08 | -46.58 | 0 | 5 | -1 | 67 | 313.406 | 4 | ↓ |
