UCSF

ZINC33823812

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 17 Yes

Popular Name: 1-(4-Amino-3-chlor-5-cyan-phenyl)-2-isopropylamino-aethanol-hydrochlorid [German]; Benzonitrile, 2-amino-3-chloro-5-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, monohydrochloride; LS-38628 1-(4-Amino-3-chlor-5-cyan-phenyl…

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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) 1.36 2.29 -45.25 5 4 1 87 254.741 4 ↓

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