| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 25 | Yes |
Popular Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxo-ethyl] [2-[[2-(cyanomethylsulfanyl)phen…
| 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) | 3.89 | 8.43 | -21.95 | 2 | 6 | 0 | 99 | 421.272 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 9.45 | -53.33 | 1 | 6 | -1 | 102 | 420.264 | 7 | ↓ |
