UCSF

ZINC13569828

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

Popular Name: (4E,5S)-4-[hydroxy-(4-isopropoxy-3-methyl-phenyl)methylene]-5-(4-hydroxyphenyl)-1-(2-morpholinoethyl (4E,5S)-4-[hydroxy-(4-isopropoxy…

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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) 2.95 5.84 -61.41 1 8 -1 102 479.553 8 ↓
Mid Mid (pH 6-8) 2.36 7.94 -50.94 2 8 1 98 481.569 8 ↓
Mid Mid (pH 6-8) 2.95 8.19 -77.56 2 8 0 104 480.561 8 ↓

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