UCSF

ZINC34941357

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 No

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

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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) 3.44 6.83 -60.37 1 9 -1 112 523.606 12 ↓
Mid Mid (pH 6-8) 3.44 9.09 -76.62 2 9 0 113 524.614 12 ↓
Lo Low (pH 4.5-6) 3.44 8.33 -60.46 3 9 1 110 525.622 12 ↓

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