UCSF

ZINC01402877

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 14 No

Popular Name: 1-(4-fluorophenyl)-2-(methylsulfonyl)-1-ethanone 1-(4-fluorophenyl)-2-(methylsulf…

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CAS Numbers: 82652-17-3 , 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) 1.02 2.86 -21.83 0 3 0 51 216.233 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 111 - 113 KeyOrganics
MP 111-113° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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