UCSF

ZINC62038769

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 31 No

Popular Name: (2S)-N-(5-formyl-2-hydroxy-phenyl)-2-[[6-methyl-4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]s (2S)-N-(5-formyl-2-hydroxy-pheny…

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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) 4.61 6.41 -20.92 3 7 0 112 471.585 6 ↓
Hi High (pH 8-9.5) 5.07 5.09 -48.57 2 7 -1 115 470.577 6 ↓
Hi High (pH 8-9.5) 5.07 5.86 -94.52 1 7 -2 118 469.569 6 ↓

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

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