UCSF

ZINC62038768

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 30 No

Popular Name: (2R)-N-(5-formyl-2-hydroxy-phenyl)-2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]p (2R)-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) 4.39 5.62 -20.84 3 7 0 112 457.558 6 ↓
Hi High (pH 8-9.5) 4.85 4.38 -46.39 2 7 -1 115 456.55 6 ↓
Hi High (pH 8-9.5) 4.85 5.14 -92.14 1 7 -2 118 455.542 6 ↓

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

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