UCSF

ZINC01170795

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 26 No

Popular Name: (5E)-1-(4-bromo-3-methyl-phenyl)-5-(3-chloro-4-hydroxy-benzylidene)-2,6-diketo-pyrimidin-4-olate (5E)-1-(4-bromo-3-methyl-phenyl)…

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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) 3.88 4.3 -41.64 1 6 -1 95 434.653 2 ↓
Mid Mid (pH 6-8) 3.88 4.96 -94.99 0 6 -2 98 433.645 2 ↓
Lo Low (pH 4.5-6) 3.42 6.07 -10.35 2 6 0 92 435.661 2 ↓

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