UCSF

ZINC00732274

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 Yes

Popular Name: 4,5-diphenyl-4H-1,2,4-triazol-3-yl 4-fluorobenzyl sulfide 4,5-diphenyl-4H-1,2,4-triazol-3-…

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CAS Number: 452949-88-1

Other Names:

MFCD03876881

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) 5.53 2.92 -10.89 0 3 0 30 361.445 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 157 - 158 KeyOrganics

Activity (Go SEA)

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