UCSF

ZINC39228115

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 31 Yes

Popular Name: (1R,9aS)-1-(4-bromo-3-methoxy-phenyl)-2-[(2,4-difluorophenyl)methyl]-1,3,4,9a-tetrahydropyrido[3,4-b (1R,9aS)-1-(4-bromo-3-methoxy-ph…

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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) 6.40 12.2 -9.04 1 3 0 28 483.356 4 ↓
Mid Mid (pH 6-8) 6.40 14.08 -48.92 2 3 1 29 484.364 4 ↓

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