| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 20 | No |
Popular Name: 1-[(3S)-3-imidazol-1-yl-1-piperidyl]-2-isopropylsulfonyl-ethanone 1-[(3S)-3-imidazol-1-yl-1-piperi…
| 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) | -0.12 | 5.87 | -51.01 | 1 | 6 | 1 | 74 | 300.404 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 5.14 | -28.61 | 0 | 6 | 0 | 72 | 299.396 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
