In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 28 | No |
Popular Name: 6-hydroxy-2-isopropylidene-4-methyl-7-[(4-phenylpiperazin-1-yl)methyl]benzofuran-3-one 6-hydroxy-2-isopropylidene-4-met…
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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) | 4.12 | 9.74 | -45.4 | 2 | 5 | 1 | 58 | 379.48 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.12 | 10.51 | -29.05 | 1 | 5 | 0 | 61 | 378.472 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.12 | 7.54 | -8.55 | 1 | 5 | 0 | 57 | 378.472 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.12 | 8.29 | -42.54 | 0 | 5 | -1 | 60 | 377.464 | 3 | ↓ |