UCSF

ZINC13274822

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Substance Information

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

Popular Name: 3-[3-[2-[[4-(carboxymethyl)phenyl]amino]-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]propanoic 3-[3-[2-[[4-(carboxymethyl)pheny…

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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) 0.68 4.06 -163.64 1 10 -3 171 389.369 9 ↓
Lo Low (pH 4.5-6) 0.23 5.54 -100.99 2 10 -2 168 390.377 9 ↓

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

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