UCSF

ZINC43212187

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 28 No

Popular Name: (1R,3R,3aS,6aS)-3-butyl-5-tert-butyl-1-(3-chlorophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c] (1R,3R,3aS,6aS)-3-butyl-5-tert-b…

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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) 1.92 11 -39.51 2 6 0 94 406.91 6 ↓
Mid Mid (pH 6-8) 1.92 10.04 -46.7 1 6 -1 90 405.902 6 ↓

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