| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 21 | No |
Popular Name: 2-isopropylsulfonyl-1-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethanone 2-isopropylsulfonyl-1-[(3R)-3-(2…
| 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) | -0.04 | 5.61 | -48.2 | 1 | 6 | 1 | 74 | 314.431 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.04 | 5.13 | -29.09 | 0 | 6 | 0 | 72 | 313.423 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
