UCSF

ZINC19848978

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 33 No

Popular Name: (1R,3R,3aS,6aS)-5-(4-bromophenyl)-1-(2-hydroxy-5-methoxy-phenyl)-3-isobutyl-4,6-dioxo-1,2,3a,6a-tetr (1R,3R,3aS,6aS)-5-(4-bromophenyl…

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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) 2.27 8.05 -38.38 3 8 0 124 517.376 6 ↓
Hi High (pH 8-9.5) 2.27 7.37 -48.36 2 8 -1 119 516.368 6 ↓

Activity (Go SEA)

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