UCSF

ZINC22135436

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 28 No

Popular Name: (5E)-1-(4-bromo-2-methyl-phenyl)-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-2-thioxo-hexahydropyrimidi (5E)-1-(4-bromo-2-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) 3.55 7.76 -43.57 1 6 -1 87 460.329 4 ↓
Hi High (pH 8-9.5) 3.55 8.71 -99.38 0 6 -2 90 459.321 4 ↓
Lo Low (pH 4.5-6) 3.09 8.83 -14.65 2 6 0 84 461.337 4 ↓

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