| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 15 | Yes |
Popular Name: 4-(cyanomethylsulfanyl)-5-azabicyclo[4.3.0]nona-2,4,10-triene-3-carbonitrile 4-(cyanomethylsulfanyl)-5-azabic…
| 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) | 2.00 | 6.71 | -9.59 | 0 | 3 | 0 | 60 | 215.281 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 6.92 | -45.77 | 1 | 3 | 1 | 62 | 216.289 | 2 | ↓ |
