UCSF

ZINC03883135

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 20 Yes

Popular Name: methyl 4-methyl-2-{[(4-methylphenyl)sulfonyl]amino}pentanoate methyl 4-methyl-2-{[(4-methylphe…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 51220-84-9 , 68305-83-9, 51220-84-9 , [51220-84-9]

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) 2.96 -2.05 -9.88 1 5 0 72 299.392 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 54 - 56 KeyOrganics
MP 54-56.5° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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