UCSF

ZINC71513878

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 23 No

Popular Name: 6-ethyl-3-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-[2-(4-methyl-1-piperid…

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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) 2.09 9.25 -15.52 1 5 0 58 351.497 3 ↓
Hi High (pH 8-9.5) 2.55 7.94 -47.23 0 5 -1 61 350.489 3 ↓

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

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