UCSF

ZINC19805494

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 20 Yes

Popular Name: 2-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-1-ethanol 2-{4-[(4-methoxyphenyl)sulfonyl]…

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CAS Numbers: , 321531-40-2 , [321531-40-2]

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) 0.57 -1.3 -11.57 1 6 0 70 300.38 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.210000000000000e+002 - 1.230000000000000e+002 KeyOrganics
melting_point 121 - 123 KeyOrganics
MP 121-123° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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