In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | No |
Popular Name: (2Z)-2-benzylidene-7-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-4-methyl-benzofuran-3-one (2Z)-2-benzylidene-7-[(4-benzylp…
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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) | 4.60 | 11.56 | -44.33 | 2 | 5 | 1 | 58 | 441.551 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.60 | 9.83 | -43.06 | 0 | 5 | -1 | 60 | 439.535 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 11.52 | -45.45 | 2 | 5 | 1 | 58 | 441.551 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 12.13 | -28.5 | 1 | 5 | 0 | 61 | 440.543 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 9.27 | -8.89 | 1 | 5 | 0 | 57 | 440.543 | 5 | ↓ |