UCSF

ZINC62038604

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 29 Yes

Popular Name: (2R)-N-(5-chloro-2-hydroxy-phenyl)-2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]p (2R)-N-(5-chloro-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 6.38 -18.74 3 6 0 95 463.993 5 ↓
Hi High (pH 8-9.5) 5.74 5.14 -46.05 2 6 -1 98 462.985 5 ↓

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

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