UCSF

ZINC34943323

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 No

Popular Name: (4E,5S)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-(2-metho (4E,5S)-5-(3-bromo-4-hydroxy-5-m…

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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) 3.49 6.82 -49.01 1 7 -1 99 489.342 7 ↓
Hi High (pH 8-9.5) 3.49 7.74 -107.37 0 7 -2 102 488.334 7 ↓
Lo Low (pH 4.5-6) 3.49 6.08 -13.71 2 7 0 96 490.35 7 ↓

Activity (Go SEA)

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