| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | No |
Popular Name: 4-[3-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propoxy]benzonitrile 4-[3-[[(3R)-1,1-dioxothiolan-3-y…
| 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) | 1.57 | 3.23 | -16.48 | 0 | 5 | 0 | 70 | 308.403 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 5.71 | -64.93 | 1 | 5 | 1 | 72 | 309.411 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
