| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | No |
Popular Name: (E)-3-[5-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic (E)-3-[5-[[(3R)-1,1-dioxothiolan…
| 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) | 0.07 | 3.32 | -68.56 | 1 | 7 | 0 | 97 | 313.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.07 | 3.2 | -60.03 | 0 | 7 | -1 | 95 | 312.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
