UCSF

ZINC13548473

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

Popular Name: (4E,5R)-4-[hydroxy-(4-isobutoxy-3-methyl-phenyl)methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(2-metho (4E,5R)-4-[hydroxy-(4-isobutoxy-…

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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) 3.26 6.91 -65.05 1 8 -1 108 468.526 10 ↓
Mid Mid (pH 6-8) 2.67 7.54 -12.71 1 8 0 102 469.534 10 ↓
Lo Low (pH 4.5-6) 3.26 6.09 -19.45 2 8 0 106 469.534 10 ↓

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