| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 22 | No |
Popular Name: 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one 2-(2,4-Dihydroxyphenyl)-3,5,7-tr…
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CAS Number: 480-16-0
| 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) | 0.93 | -2.9 | -14.92 | 4 | 7 | 0 | 124 | 302.238 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | -1.14 | -123.17 | 2 | 7 | -2 | 130 | 300.222 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | -2.13 | -42.04 | 3 | 7 | -1 | 127 | 301.23 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | -1.91 | -52.63 | 3 | 7 | -1 | 127 | 301.23 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.