UCSF

ZINC62038747

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 33 No

Popular Name: (2S)-N-(5-formyl-2-hydroxy-phenyl)-2-[[6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sul (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) 5.28 7.89 -20.16 3 7 0 112 479.583 6 ↓
Hi High (pH 8-9.5) 5.28 8.66 -50.26 2 7 -1 115 478.575 6 ↓
Hi High (pH 8-9.5) 5.74 6.55 -49.75 2 7 -1 115 478.575 6 ↓
Hi High (pH 8-9.5) 5.74 7.33 -95.95 1 7 -2 118 477.567 6 ↓

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