| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 24 | Yes |
Popular Name: (2S,3S)-2-(6-bromo-4H-1,3-benzodioxin-8-yl)-6-chloro-3-hydroxy-chroman-4-one (2S,3S)-2-(6-bromo-4H-1,3-benzod…
| 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) | 3.45 | 6.54 | -8.03 | 1 | 5 | 0 | 65 | 411.635 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 7.34 | -56.12 | 0 | 5 | -1 | 68 | 410.627 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
