| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | No |
Popular Name: 4-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-1-hydroxy-ethyl]benzonitrile 4-[(1R)-2-[[(3R)-1,1-dioxothiola…
| 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) | 0.43 | 3.37 | -67.89 | 2 | 5 | 1 | 83 | 295.384 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 0.51 | -17.65 | 1 | 5 | 0 | 81 | 294.376 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
