UCSF

ZINC09329231

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 33 No

Popular Name: 5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)-methylene]-1 5-(3-bromo-4-hydroxy-5-methoxy-p…

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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) 3.06 6.14 -63.33 1 8 -1 108 517.352 7 ↓
Hi High (pH 8-9.5) 3.06 6.91 -119.85 0 8 -2 111 516.344 7 ↓
Mid Mid (pH 6-8) 2.47 -3.01 -15.93 1 8 0 102 518.36 7 ↓
Mid Mid (pH 6-8) 3.50 5.95 -17.31 2 8 0 106 518.36 6 ↓

Activity (Go SEA)

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