UCSF

ZINC13274830

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 26 Yes

Popular Name: 3-[3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]propanoic 3-[3-[2-(4-methylsulfonylpiperaz…

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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) -0.93 -0.52 -115.16 0 11 -2 160 403.442 7 ↓
Lo Low (pH 4.5-6) -1.39 0.96 -61.02 1 11 -1 156 404.45 7 ↓

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

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