| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 17 | No |
Popular Name: 3-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]benzonitrile 3-[[[(3S)-1,1-dioxothiolan-3-yl]…
| 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) | 0.75 | 3.56 | -73.99 | 2 | 4 | 1 | 75 | 251.331 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 2.26 | -16.11 | 1 | 4 | 0 | 70 | 250.323 | 3 | ↓ |
