In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 23 | No |
Popular Name: 6-hydroxy-2-isopropylidene-4-methyl-7-[(4-methylpiperazin-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) | 2.43 | 5.54 | -42.2 | 2 | 5 | 1 | 58 | 317.409 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 3.75 | -42.55 | 0 | 5 | -1 | 60 | 315.393 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 6.14 | -47.68 | 1 | 5 | 0 | 61 | 316.401 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 3.17 | -7.79 | 1 | 5 | 0 | 57 | 316.401 | 2 | ↓ |