UCSF

ZINC55575959

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 28 Yes

Popular Name: 3-(2-ethylimidazol-1-yl)-N-[2-(3-ethylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]propanamide 3-(2-ethylimidazol-1-yl)-N-[2-(3…

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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) 2.31 6.34 -56.9 2 8 0 110 398.492 8 ↓
Mid Mid (pH 6-8) 2.31 5.99 -45.78 1 8 -1 109 397.484 8 ↓
Lo Low (pH 4.5-6) 1.85 7.39 -37.32 3 8 1 107 399.5 8 ↓

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

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