UCSF

ZINC01211221

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2004 27 No

Popular Name: (5E)-1-(4-bromo-3-methyl-phenyl)-5-(3,5-dichloro-4-oxido-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) 4.48 5.49 -92.24 0 6 -2 98 468.09 2 ↓
Lo Low (pH 4.5-6) 4.48 4.83 -41.9 1 6 -1 95 469.098 2 ↓

Activity (Go SEA)

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