UCSF

ZINC41585673

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 Yes

Popular Name: 3-(2-ethoxyphenoxy)-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-hydroxy-chromen-4-one 3-(2-ethoxyphenoxy)-8-[[4-(4-flu…

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Download: MOL2 SDF SMILES Flexibase

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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) 5.14 9.82 -17.34 1 7 0 75 490.531 7 ↓
Hi High (pH 8-9.5) 5.14 10.59 -45.71 0 7 -1 78 489.523 7 ↓
Mid Mid (pH 6-8) 5.14 12.06 -60.65 2 7 1 77 491.539 7 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.