In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 25 | No |
Popular Name: (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-dibenzofuran-4-carboxamide (9aS)-8-acetyl-1,7-dihydroxy-3-m…
None
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) | 0.62 | 1.6 | -49.32 | 3 | 8 | -1 | 139 | 344.299 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.62 | 2.49 | -105.5 | 2 | 8 | -2 | 142 | 343.291 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.03 | 1.91 | -18.56 | 3 | 8 | 0 | 133 | 345.307 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.62 | 1.33 | -49.99 | 3 | 8 | -1 | 139 | 344.299 | 2 | ↓ |