UCSF

ZINC33751299

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 25 No

Popular Name: (1R,3S,3aS,6aS)-1-(4-chlorophenyl)-3-isobutyl-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]p (1R,3S,3aS,6aS)-1-(4-chloropheny…

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Vendors

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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) 0.47 7.65 -40.77 2 6 0 94 364.829 4 ↓
Hi High (pH 8-9.5) 0.47 6.6 -57.08 1 6 -1 90 363.821 4 ↓
Hi High (pH 8-9.5) 0.47 6.74 -48.89 1 6 -1 90 363.821 4 ↓

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