UCSF

ZINC31811960

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 29 Yes

Popular Name: (4S)-4-(4-isopropylphenyl)-3-methyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (4S)-4-(4-isopropylphenyl)-3-met…

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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) 2.75 11.93 -19.33 2 8 0 101 387.447 3 ↓
Hi High (pH 8-9.5) 2.94 8.68 -53.13 1 8 -1 103 386.439 3 ↓
Hi High (pH 8-9.5) 2.75 11.43 -48.5 1 8 -1 100 386.439 3 ↓
Mid Mid (pH 6-8) 2.75 11.91 -19.1 2 8 0 101 387.447 3 ↓
Mid Mid (pH 6-8) 2.94 9.16 -18.9 2 8 0 105 387.447 3 ↓

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