UCSF

ZINC33438026

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 36 No

Popular Name: (1R,3R,3aS,6aS)-3-benzyl-5-cyclohexyl-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3a,6a-tetrahydropy (1R,3R,3aS,6aS)-3-benzyl-5-cyclo…

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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) 2.72 13.43 -49.08 1 6 -1 90 499.509 6 ↓
Mid Mid (pH 6-8) 2.72 13.57 -30.14 2 6 0 94 500.517 6 ↓
Lo Low (pH 4.5-6) 2.72 14.38 -44.31 2 6 0 94 500.517 6 ↓

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