| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 38 | Yes |
Popular Name: [3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2-oxo-chromen-8-yl]methylBLAHone [3-(3,4-dimethoxyphenyl)-7-hydro…
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| 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) | 3.98 | 12.55 | -67.2 | 2 | 8 | 1 | 95 | 515.586 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 13.13 | -36.87 | 1 | 8 | 0 | 98 | 514.578 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 10.41 | -36.23 | 1 | 8 | 0 | 94 | 514.578 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
