UCSF

ZINC31808479

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 33 Yes

Popular Name: (4S)-4-(3-isobutoxy-4-methoxy-phenyl)-3-methyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyrid (4S)-4-(3-isobutoxy-4-methoxy-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) 2.01 11.6 -21.92 2 10 0 120 447.499 6 ↓
Hi High (pH 8-9.5) 2.19 8.35 -54.79 1 10 -1 122 446.491 6 ↓
Hi High (pH 8-9.5) 2.01 11.1 -49.87 1 10 -1 118 446.491 6 ↓
Mid Mid (pH 6-8) 2.01 11.57 -21.88 2 10 0 120 447.499 6 ↓
Mid Mid (pH 6-8) 2.19 8.83 -21.9 2 10 0 123 447.499 6 ↓

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