UCSF

ZINC12420017

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 26 No

Popular Name: (3aR,4S,6R,6aR)-4-(5-bromo-2-hydroxy-phenyl)-2-butyl-6-methyl-1,3-dioxo-3a,4,5,6a-tetrahydropyrrolo[ (3aR,4S,6R,6aR)-4-(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) 0.68 5.81 -37.37 3 7 0 114 425.279 5 ↓
Ref Reference (pH 7) 0.68 7.15 -32.63 3 7 0 114 425.279 5 ↓
Hi High (pH 8-9.5) 0.68 6.37 -51.04 2 7 -1 117 424.271 5 ↓
Mid Mid (pH 6-8) 0.68 6.06 -47.87 2 7 -1 110 424.271 5 ↓
Mid Mid (pH 6-8) 0.68 5.42 -43.77 2 7 -1 110 424.271 5 ↓

Activity (Go SEA)

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