UCSF

ZINC33824054

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 20 Yes

Popular Name: 5'-(2-(Cyclopropylamino)-1-hydroxyethyl)-2'-hydroxy-3'-methylmethanesulfonanilide HCl; LS-90223; Methanesulfonanilide, 5'-(2-(cyclopropylamino)-1-hydroxyethyl)-2'-hydroxy-3'-methyl-, hydrochloride 5'-(2-(Cyclopropylamino)-1-hydro…

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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 -1.63 -49.2 4 6 0 105 300.38 6 ↓
Hi High (pH 8-9.5) 0.59 -2.92 -40.79 3 6 -1 101 299.372 6 ↓
Mid Mid (pH 6-8) 0.59 -1.69 -45.76 5 6 1 103 301.388 6 ↓

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