| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 23 | Yes |
Popular Name: (2S)-8-allyl-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one (2S)-8-allyl-5,7-dihydroxy-2-(4-…
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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) | 3.34 | 3 | -10.07 | 3 | 5 | 0 | 87 | 312.321 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 3.99 | -52.55 | 2 | 5 | -1 | 90 | 311.313 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306-4-O | Aorta (cluster #4 Of 6), Other | Other | 3210 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306 | Z102306 | Aorta | 3210 | 0.33 | Functional ≤ 10μM |
