UCSF

ZINC38576666

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 No

Popular Name: (4R,8aS)-4-(2-chloro-6-fluoro-phenyl)-3-methyl-1-[(5S)-5H-purin-6-yl]-2,4,6,8a-tetrahydropyrazolo[3, (4R,8aS)-4-(2-chloro-6-fluoro-ph…

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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) 1.96 7.35 -12.97 2 8 0 94 431.884 2 ↓

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

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