UCSF

ZINC43221261

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 33 No

Popular Name: (3aS,4S,6R,6aR)-6-benzyl-2-butyl-4-(4-hydroxy-3,5-dimethyl-phenyl)-1,3-dioxo-3a,4,5,6a-tetrahydropyr (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) 1.92 10.37 -36.22 3 7 0 114 450.535 7 ↓
Mid Mid (pH 6-8) 1.92 9.17 -55.79 2 7 -1 110 449.527 7 ↓
Mid Mid (pH 6-8) 1.92 9.44 -51.41 2 7 -1 110 449.527 7 ↓

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