In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 36 | Yes |
Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)-2-methyl-chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…
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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) | 4.74 | 10.81 | -52.87 | 2 | 7 | 1 | 77 | 487.576 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.74 | 9.1 | -45.02 | 0 | 7 | -1 | 78 | 485.56 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.74 | 8.52 | -13.41 | 1 | 7 | 0 | 75 | 486.568 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.74 | 10.77 | -52.36 | 2 | 7 | 1 | 77 | 487.576 | 7 | ↓ |