UCSF

ZINC13274824

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 27 Yes

Popular Name: 2-[[2-[[6-(2-carboxyethyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-3-methyl-benzoic 2-[[2-[[6-(2-carboxyethyl)-5-oxo…

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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) 0.77 4.39 -170.67 1 10 -3 171 389.369 8 ↓
Lo Low (pH 4.5-6) 0.31 5.87 -103.02 2 10 -2 168 390.377 8 ↓

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

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