UCSF

ZINC26299116

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 27 No

Popular Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-bromo-4-methoxy-benzamide N-[5-(4-allyl-5-thioxo-1H-1,2,4-…

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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) 4.02 9.62 -55.42 1 7 -1 82 465.378 6 ↓
Hi High (pH 8-9.5) 4.09 8.71 -92.59 0 7 -2 88 464.37 6 ↓
Lo Low (pH 4.5-6) 3.29 9.77 -24.07 2 7 0 85 466.386 6 ↓

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