UCSF

ZINC04118536

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 34 No

Popular Name: 2-{[4-({2-[4-(sec-butyl)anilino]-2-oxoethyl}sulfanyl)butyl]sulfanyl}-N-[4-(sec-butyl)phenyl]acetamide 2-{[4-({2-[4-(sec-butyl)anilino]…

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CAS Number: 301194-35-4

Other Names:

MFCD00955106

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) 7.22 0.24 -18.09 2 4 0 58 500.774 15 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 113 - 114 KeyOrganics

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