UCSF

ZINC67975491

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: (4S)-3-(4-chlorophenyl)-4-(3-ethylimidazol-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (4S)-3-(4-chlorophenyl)-4-(3-eth…

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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) 2.27 8.15 -40.85 3 6 1 77 342.81 3 ↓
Mid Mid (pH 6-8) 2.27 7.63 -9.51 2 6 0 76 341.802 3 ↓

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

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