In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | No |
Popular Name: [(2Z)-6-hydroxy-4-methyl-2-[(5-methyl-2-furyl)methylene]-3-oxo-benzofuran-7-yl]methylBLAHone [(2Z)-6-hydroxy-4-methyl-2-[(5-m…
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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) | 3.31 | 12.12 | -58.88 | 2 | 7 | 1 | 90 | 459.522 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.31 | 10.55 | -50.21 | 0 | 7 | -1 | 92 | 457.506 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.31 | 9.97 | -24.56 | 1 | 7 | 0 | 89 | 458.514 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.31 | 12.7 | -35.72 | 1 | 7 | 0 | 93 | 458.514 | 3 | ↓ |