In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 35 | No |
Popular Name: [(2Z)-2-[(4-fluorophenyl)methylene]-6-hydroxy-4-methyl-3-oxo-benzofuran-7-yl]methylBLAHone [(2Z)-2-[(4-fluorophenyl)methyle…
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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) | 3.99 | 12.58 | -59.76 | 2 | 6 | 1 | 77 | 473.524 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.99 | 11.03 | -44.4 | 0 | 6 | -1 | 79 | 471.508 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.99 | 10.44 | -20.9 | 1 | 6 | 0 | 76 | 472.516 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.99 | 13.16 | -33.31 | 1 | 6 | 0 | 80 | 472.516 | 3 | ↓ |