| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 25 | No |
Popular Name: [(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chroman-7-yl] [(2S)-2-(3,4-dihydroxyphenyl)-5-…
| 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) | 0.25 | -0.05 | -14.59 | 5 | 8 | 0 | 139 | 345.307 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.25 | 0.94 | -60.11 | 4 | 8 | -1 | 142 | 344.299 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.25 | 0.34 | -60.13 | 6 | 8 | 1 | 141 | 346.315 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
