| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 25 | No |
Popular Name: (2E,9bS)-6-acetyl-2-(1-aminoethylidene)-7,9-dihydroxy-8,9b-dimethyl-dibenzofuran-1,3-dione (2E,9bS)-6-acetyl-2-(1-aminoethy…
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CAS Number: 55721-24-9
| 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) | 2.11 | 1.76 | -41.92 | 3 | 7 | -1 | 131 | 342.327 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 2.3 | -102.74 | 2 | 7 | -2 | 134 | 341.319 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 2.08 | -89.25 | 2 | 7 | -2 | 134 | 341.319 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 2.08 | -92.28 | 2 | 7 | -2 | 134 | 341.319 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 2.31 | -106.14 | 2 | 7 | -2 | 134 | 341.319 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 2.33 | -94.85 | 2 | 7 | -2 | 134 | 341.319 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
