UCSF

ZINC38577366

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 No

Popular Name: (4S,7aS)-4-(2-allyloxyphenyl)-3-methyl-1-[(5S)-5H-purin-6-yl]-2,4,5,7a-tetrahydropyrazolo[3,4-b]pyri (4S,7aS)-4-(2-allyloxyphenyl)-3-…

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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) 1.63 7.83 -13.03 2 9 0 103 403.446 5 ↓

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

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