| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 23 | Yes |
Popular Name: [(2S)-2,3-dihydro-1,4-benzoxathiin-2-yl]-[(3S)-3-imidazol-1-yl-1-piperidyl]methanone [(2S)-2,3-dihydro-1,4-benzoxathi…
| 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) | 1.65 | 10.85 | -40.45 | 1 | 5 | 1 | 49 | 330.433 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 10.14 | -15.5 | 0 | 5 | 0 | 47 | 329.425 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
