UCSF

ZINC63751301

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 29 No

Popular Name: (4aR)-N-(3-chloro-4-fluoro-phenyl)-5-methyl-2,4-dioxo-3-phenyl-4aH-pyrrolo[3,2-d]pyrimidine-7-carbox (4aR)-N-(3-chloro-4-fluoro-pheny…

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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) 2.59 7.25 -18.79 1 7 0 82 412.808 3 ↓
Mid Mid (pH 6-8) 2.78 4.97 -54.19 0 7 -1 88 411.8 3 ↓

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

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