| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2008 | 20 | Yes |
Popular Name: PINOBANKSIN PINOBANKSIN
Find On: PubMed — Wikipedia — Google
CAS Numbers: 548-82-3 , [548-82-3]
2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one
3,5,7-Trihydroxyflavanone; 548-82-3; C09826; Pinobanksin
| 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) | 1.68 | 1.14 | -8.78 | 3 | 5 | 0 | 87 | 272.256 | 1 | ↓ |
| Ref Reference (pH 7) | 1.68 | 0.8 | -9.95 | 3 | 5 | 0 | 87 | 272.256 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 1.79 | -50.83 | 2 | 5 | -1 | 90 | 271.248 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 2.13 | -49.68 | 2 | 5 | -1 | 90 | 271.248 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0719554A1; EP0742012A2; US5591771; US5650433; WO1996010408A1 | IBM Patent Data |
