UCSF

ZINC02168764

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 24 Yes

Popular Name: 1,2,4-Triphenyl-1,4-butanedione 1,2,4-Triphenyl-1,4-butanedione

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CAS Numbers: 1/4/4441 12:00:00 AM , 4441-01-4

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) 4.95 2.85 -8.06 0 2 0 34 314.384 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 126-130? Alfa-Aesar
Melting_Point 126-130° Alfa-Aesar

Activity (Go SEA)

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