UCSF

ZINC12959833

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 39 No

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

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CAS Number: 478066-94-3

Other Names:

MFCD01315126

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) 7.38 18.37 -10.67 1 5 0 60 577.512 9 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 159 - 160 KeyOrganics

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