UCSF

ZINC12856032

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 41 No

Popular Name: N-[1-(5-{[4-(tert-butyl)benzyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzenecarboxamide N-[1-(5-{[4-(tert-butyl)benzyl]s…

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CAS Number: 478066-93-2

Other Names:

MFCD01315125

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) 7.80 2.81 -9.51 1 5 0 60 564.73 10 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 165 - 166 KeyOrganics

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