UCSF

ZINC20890819

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 No

Popular Name: 2-[[3-[(2-chloro-6-fluoro-phenyl)methyl]-7-hydroxy-triazolo[5,4-d]pyrimidin-5-yl]methylsulfanyl]-N-( 2-[[3-[(2-chloro-6-fluoro-phenyl…

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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) 2.23 5.4 -59.01 1 10 -1 135 462.874 7 ↓
Mid Mid (pH 6-8) 1.77 5.83 -40.69 2 10 0 132 463.882 7 ↓

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

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