UCSF

ZINC02170903

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 16 No

Popular Name: 2-Ethoxyethyl 4-methylbenzenesulfonate 2-Ethoxyethyl 4-methylbenzenesul…

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CAS Numbers: 17178-11-9 , [17178-11-9]

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) 1.92 -3.59 -10.67 0 4 0 52 244.312 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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