| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: [5-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-1,3-dimethyl-pyrazol-4-yl]methanol [5-[[(3R)-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) | -0.38 | 0.38 | -40.01 | 2 | 6 | 1 | 77 | 274.366 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | 0.25 | -17.35 | 1 | 6 | 0 | 75 | 273.358 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
