UCSF

ZINC43221091

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 34 No

Popular Name: (3aS,4S,6R,6aR)-6-benzyl-2-butyl-1,3-dioxo-4-[3-(trifluoromethyl)phenyl]-3a,4,5,6a-tetrahydropyrrolo (3aS,4S,6R,6aR)-6-benzyl-2-butyl…

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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) 2.25 11.82 -48.21 1 6 -1 90 473.471 8 ↓
Mid Mid (pH 6-8) 2.25 12.42 -41.71 2 6 0 94 474.479 8 ↓
Lo Low (pH 4.5-6) 2.25 12.75 -37.2 2 6 0 94 474.479 8 ↓

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