UCSF

ZINC33877729

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 16 Yes

Popular Name: 2-((1,1-Dimethylethyl)amino)-1-(3-methoxyphenyl)ethanone methanesulfonate; CRL 40833; Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate; LS-67394; Methanesulfonate de (3-methoxyphenyl)(tertiobutylamino methyl)-cetone [French] 2-((1,1-Dimethylethyl)amino)-1-(…

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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) 2.46 5.47 -40.71 2 3 1 43 222.308 5 ↓
Hi High (pH 8-9.5) 2.46 4.24 -9.01 1 3 0 38 221.3 5 ↓

Activity (Go SEA)

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