UCSF

ZINC02801258

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 28 No

Popular Name: (5E)-5-(5-bromo-2-p-anisoyloxy-benzylidene)-6-keto-2-thioxo-pyrimidin-4-olate (5E)-5-(5-bromo-2-p-anisoyloxy-b…

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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) 3.75 6.54 -43.77 1 7 -1 104 460.285 5 ↓
Lo Low (pH 4.5-6) 3.30 8.3 -11.59 2 7 0 101 461.293 5 ↓
Lo Low (pH 4.5-6) 3.75 6.33 -43.63 1 7 -1 104 460.285 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.