UCSF

ZINC41585905

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2E)-2-[(4-ethylphenyl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-one (2E)-2-[(4-ethylphenyl)methylene…

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Physical Representations

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) 4.53 10.39 -35.72 2 6 1 71 442.539 5 ↓
Hi High (pH 8-9.5) 4.53 10.81 -43.94 0 6 -1 73 440.523 5 ↓
Mid Mid (pH 6-8) 4.53 12.6 -104.53 3 6 2 72 443.547 5 ↓
Mid Mid (pH 6-8) 4.53 10.05 -10.56 1 6 0 70 441.531 5 ↓
Lo Low (pH 4.5-6) 4.53 12.26 -47.15 2 6 1 71 442.539 5 ↓

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