UCSF

ZINC67741750

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: (4S)-4-(2-ethyl-4-methyl-1H-imidazol-5-yl)-1-methyl-3-(2-pyridyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyri (4S)-4-(2-ethyl-4-methyl-1H-imid…

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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) 0.95 6.62 -34.59 3 7 1 90 337.407 3 ↓
Mid Mid (pH 6-8) 0.95 6.25 -10.01 2 7 0 88 336.399 3 ↓
Lo Low (pH 4.5-6) 0.95 6.69 -97.32 4 7 2 91 338.415 3 ↓

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

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