UCSF

ZINC34940967

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 No

Popular Name: (4E,5S)-5-(3-ethoxy-4-hydroxy-phenyl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-1-(2-morpholinoethyl)py (4E,5S)-5-(3-ethoxy-4-hydroxy-ph…

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Download: MOL2 SDF SMILES Flexibase

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) 2.38 5.24 -60.79 1 9 -1 112 495.552 10 ↓
Mid Mid (pH 6-8) 2.38 7.51 -76.95 2 9 0 113 496.56 10 ↓
Lo Low (pH 4.5-6) 2.38 6.76 -60.62 3 9 1 110 497.568 10 ↓

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