UCSF

ZINC69843760

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 22 Yes

Popular Name: 2-(5-chloro-3-methyl-isoxazol-4-yl)-N-[5-(5-methyl-2-thienyl)-4H-1,2,4-triazol-3-yl]acetamide 2-(5-chloro-3-methyl-isoxazol-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) 2.43 7.21 -10.3 2 7 0 100 337.792 3 ↓
Mid Mid (pH 6-8) 2.44 6.44 -44.83 1 7 -1 103 336.784 4 ↓

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Rings

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

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