UCSF

ZINC31561384

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 20 No

Popular Name: 2-(4-(3-Oxo-1,2-benzisothiazolin-2-yl)butylamino)ethanethiol, S,S-dioxide, hydrogen bromide; Ethanethiol, 2-(4-(3-oxo-1,2-benzisothiazolin-2-yl)butylamino)-, S,S-dioxide, hydrobromide; LS-66058 2-(4-(3-Oxo-1,2-benzisothiazolin…

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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) 0.77 3.66 -50.48 2 5 1 71 315.44 7 ↓
Hi High (pH 8-9.5) 0.77 4.21 -56.08 2 5 0 71 314.432 7 ↓

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