UCSF

ZINC38598627

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Substance Information

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

Popular Name: (4S,8aR)-3-methyl-1-[(5S)-5H-purin-6-yl]-4-(3-pyridyl)-2,4,6,8a-tetrahydropyrazolo[3,4-e][1,4]thiaze (4S,8aR)-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) -0.02 5.2 -15.15 2 9 0 107 380.437 2 ↓
Lo Low (pH 4.5-6) 0.17 2.79 -48.55 3 9 1 111 381.445 2 ↓

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

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