UCSF

ZINC43221269

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Substance Information

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

Popular Name: (3aS,4R,6S,6aR)-6-benzyl-2-tert-butyl-4-(4-hydroxy-3,5-dimethyl-phenyl)-1,3-dioxo-3a,4,5,6a-tetrahyd (3aS,4R,6S,6aR)-6-benzyl-2-tert-…

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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) 1.66 10.53 -50.58 3 7 0 114 450.535 5 ↓
Mid Mid (pH 6-8) 1.66 8.81 -51.66 2 7 -1 110 449.527 5 ↓
Mid Mid (pH 6-8) 1.66 9.48 -58.61 2 7 -1 110 449.527 5 ↓

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