UCSF

ZINC20729197

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 33 Yes

Popular Name: (4R)-4-(4-isobutoxy-3-methoxy-phenyl)-3-methyl-1-(9H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyrid (4R)-4-(4-isobutoxy-3-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) 2.19 8.62 -20.37 2 10 0 123 447.499 6 ↓
Ref Reference (pH 7) 2.01 11.41 -18.15 2 10 0 120 447.499 6 ↓
Hi High (pH 8-9.5) 2.19 8.12 -51.28 1 10 -1 122 446.491 6 ↓
Hi High (pH 8-9.5) 2.01 10.91 -45 1 10 -1 118 446.491 6 ↓
Mid Mid (pH 6-8) 2.01 11.39 -17.66 2 10 0 120 447.499 6 ↓
Mid Mid (pH 6-8) 2.19 8.6 -18.79 2 10 0 123 447.499 6 ↓

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