UCSF

ZINC00410107

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 Yes

Popular Name: Ethyl 2-((4-methylphenyl)sulfonyl)acetate Ethyl 2-((4-methylphenyl)sulfony…

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CAS Number: 2850-19-3

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) 1.49 4.54 -14.78 0 4 0 60 242.296 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 0 KeyOrganics

Activity (Go SEA)

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