In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 25 | No |
Popular Name: (2Z)-2-(2-furylmethylene)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-one (2Z)-2-(2-furylmethylene)-6-hydr…
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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) | 2.08 | 6.51 | -27.75 | 1 | 6 | 0 | 74 | 340.379 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.08 | 4.17 | -45.72 | 0 | 6 | -1 | 73 | 339.371 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.08 | 6.53 | -55.16 | 1 | 6 | 0 | 74 | 340.379 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 5.85 | -44.83 | 2 | 6 | 1 | 71 | 341.387 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 3.4 | -10.01 | 1 | 6 | 0 | 70 | 340.379 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.08 | 5.72 | -41.12 | 2 | 6 | 1 | 71 | 341.387 | 3 | ↓ |