UCSF

ZINC33759326

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 No

Popular Name: (1R,3R,3aS,6aS)-3-isopropyl-4,6-dioxo-5-phenyl-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropy (1R,3R,3aS,6aS)-3-isopropyl-4,6-…

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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) 1.90 10.23 -40.79 2 7 0 103 462.424 6 ↓
Hi High (pH 8-9.5) 1.90 7.97 -41.29 1 7 -1 99 461.416 6 ↓
Mid Mid (pH 6-8) 1.90 9.26 -44.96 1 7 -1 99 461.416 6 ↓

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