UCSF

ZINC33709681

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 26 No

Popular Name: (1R,3R,3aS,6aS)-1-(5-bromo-2-hydroxy-phenyl)-5-tert-butyl-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyr (1R,3R,3aS,6aS)-1-(5-bromo-2-hyd…

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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) 0.43 6.39 -37.38 3 7 0 114 425.279 3 ↓
Hi High (pH 8-9.5) 0.43 5.2 -53.55 2 7 -1 117 424.271 3 ↓
Hi High (pH 8-9.5) 0.43 4.3 -104.91 1 7 -2 113 423.263 3 ↓
Mid Mid (pH 6-8) 0.43 5.67 -47.17 2 7 -1 110 424.271 3 ↓

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