UCSF

ZINC71514013

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 18 No

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

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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) 1.50 8.46 -13.92 1 4 0 55 282.39 3 ↓
Hi High (pH 8-9.5) 1.96 7.38 -43.34 0 4 -1 58 281.382 3 ↓

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

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