UCSF

ZINC71513778

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 25 No

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-(6-ethyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)acetamide N-(3-chloro-4-fluoro-phenyl)-2-(…

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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) 3.17 9 -17.61 2 5 0 67 397.884 4 ↓
Hi High (pH 8-9.5) 3.62 7.7 -45.9 1 5 -1 70 396.876 4 ↓

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

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