UCSF

ZINC00172836

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: 1-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-1-ethanone 1-(4-chlorophenyl)-2-[(4-chlorop…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 33046-50-3 , [33046-50-3]

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) 4.88 0.85 -8.05 0 1 0 17 297.206 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 112-115° Matrix Scientific
melting_point 114 - 116 KeyOrganics
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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