UCSF

ZINC20138088

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 34 No

Popular Name: (1R,3S,3aS,6aS)-3-benzyl-1-(4-chlorophenyl)-5-(4-fluorophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo (1R,3S,3aS,6aS)-3-benzyl-1-(4-ch…

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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) 2.48 13.09 -61.8 1 6 -1 90 477.899 5 ↓
Mid Mid (pH 6-8) 2.48 12.86 -44.6 2 6 0 94 478.907 5 ↓
Mid Mid (pH 6-8) 2.48 14.01 -55.69 2 6 0 94 478.907 5 ↓

Activity (Go SEA)

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