UCSF

ZINC22041891

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 22 Yes

Popular Name: 1-(Methyl(2-piperidinoethyl)amino)-3-(o-tolyloxy)-2-propanol dihydrochloride; 2-Propanol, 1-(methyl(2-piperidinoethyl)amino)-3-(o-tolyloxy)-, dihydrochloride; LS-122574 1-(Methyl(2-piperidinoethyl)amin…

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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) 2.72 6 -34.86 2 4 1 37 307.458 8 ↓
Mid Mid (pH 6-8) 2.72 6.19 -40.77 2 4 1 37 307.458 8 ↓
Mid Mid (pH 6-8) 2.72 8.41 -112.78 3 4 2 38 308.466 8 ↓

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