UCSF

ZINC34387391

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 27 No

Popular Name: (1R,3R,3aS,6aS)-1-(5-bromo-2-methoxy-phenyl)-3-isobutyl-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrro (1R,3R,3aS,6aS)-1-(5-bromo-2-met…

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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) 0.59 8.7 -35.27 2 7 0 103 439.306 5 ↓
Hi High (pH 8-9.5) 0.59 6.68 -42.74 1 7 -1 99 438.298 5 ↓
Hi High (pH 8-9.5) 0.59 8.06 -47.39 1 7 -1 99 438.298 5 ↓

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