UCSF

ZINC11847693

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 18 Yes

Popular Name: 4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoic acid 4-chloro-3-(1,1-dioxido-1,2-thia…

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CAS Numbers: 927996-03-0 , N/A

Download: MOL2 SDF SMILES Flexibase

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) 2.33 -3.82 -52.37 0 5 -1 78 288.732 2 ↓

Vendor Notes

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Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.