| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2006 | 21 | Yes |
Popular Name: 3-isopropylsulfanyl-9-(p-tolyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-ol 3-isopropylsulfanyl-9-(p-tolyl)-…
| 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) | 3.47 | 8.34 | -13.64 | 1 | 5 | 0 | 64 | 300.387 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.93 | 6.92 | -46.61 | 0 | 5 | -1 | 67 | 299.379 | 3 | ↓ |
