UCSF

ZINC31983942

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 30 No

Popular Name: 4,4'-Biphenylenebis(2-oxoethylenebis(thiodimethyl)ammonium) dibromide; Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis((2-mercaptoethyl)dimethyl-, dibromide; LS-16870; Thio-seco-HC-3 4,4'-Biphenylenebis(2-oxoethylen…

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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) -3.41 16.78 -93.23 0 4 2 34 446.682 9 ↓
Hi High (pH 8-9.5) -3.41 17.86 -104.85 0 4 0 34 444.666 9 ↓
Mid Mid (pH 6-8) -3.41 17.32 -95.33 0 4 1 34 445.674 9 ↓

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