UCSF

ZINC33824939

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Substance Information

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

Popular Name: 2-Propanol, 1,1'-(1,2-ethanediyldiimino)bis(3-(3-chlorophenoxy)-, dimethanesulfonate (salt); LS-122282; N,N'-Bis-(3-(m-chlorophenoxy)-2-hydroxypropyl)ethylenediamine dimethanesulfonate; ROM 131 2-Propanol, 1,1'-(1,2-ethanediyl…

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Vendors

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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) 2.56 4.13 -137.42 6 6 2 92 431.36 13 ↓
Mid Mid (pH 6-8) 2.56 2.73 -51.81 5 6 1 88 430.352 13 ↓

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