UCSF

ZINC33824058

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 26 Yes

Popular Name: 5'-(2-(1-Benzylcyclopropylamino)-1-hydroxyethyl)-2'-hydroxymethanesulfonanilide HCl; LS-90194; Methanesulfonanilide, 5'-(2-(1-benzylcyclopropylamino)-1-hydroxyethyl)-2'-hydroxy-, hydrochloride 5'-(2-(1-Benzylcyclopropylamino)…

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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) 2.09 1.85 -50.33 4 6 0 105 376.478 8 ↓
Hi High (pH 8-9.5) 2.09 0.68 -46.55 3 6 -1 101 375.47 8 ↓
Mid Mid (pH 6-8) 2.09 1.76 -45.8 5 6 1 103 377.486 8 ↓

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