UCSF

ZINC31809732

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 30 No

Popular Name: (4S)-4-(4-hydroxy-3-methoxy-phenyl)-3-methyl-1-(9H-purin-6-yl)-4,8-dihydropyrazolo[3,4-e][1,4]thiaze (4S)-4-(4-hydroxy-3-methoxy-phen…

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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) 0.82 7.05 -19.43 3 10 0 131 423.458 3 ↓
Hi High (pH 8-9.5) 1.01 4.93 -50.6 2 10 -1 133 422.45 3 ↓
Hi High (pH 8-9.5) 0.82 6.55 -45.36 2 10 -1 129 422.45 3 ↓
Mid Mid (pH 6-8) 0.82 6.98 -19.39 3 10 0 131 423.458 3 ↓
Mid Mid (pH 6-8) 1.01 5.42 -18.56 3 10 0 134 423.458 3 ↓

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