UCSF

ZINC38598971

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4R,8aS)-3-methyl-1-[(5S)-5H-purin-6-yl]-4-(4-pyridyl)-2,4,6,8a-tetrahydropyrazolo[3,4-e][1,4]thiaze (4R,8aS)-3-methyl-1-[(5S)-5H-pur…

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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) -0.07 5.33 -13.15 2 9 0 107 380.437 2 ↓
Lo Low (pH 4.5-6) -0.07 5.81 -54.46 3 9 1 108 381.445 2 ↓

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

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