| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 19 | No |
Popular Name: 4-[[(1,1-dioxothian-4-yl)amino]methyl]-3-fluoro-benzonitrile 4-[[(1,1-dioxothian-4-yl)amino]m…
| 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) | 1.13 | 4.09 | -70.37 | 2 | 4 | 1 | 75 | 283.348 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 2.88 | -17.21 | 1 | 4 | 0 | 70 | 282.34 | 3 | ↓ |
