UCSF

ZINC00154692

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

Popular Name: TRANS-1,2-DIBENZOYLETHYLENE TRANS-1,2-DIBENZOYLETHYLENE

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CAS Number: 959-28-4

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) 3.13 2.4 -7.66 0 2 0 34 236.27 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 103-108? Alfa-Aesar
Melting_Point 103-108° Alfa-Aesar
Mp [°C] 108 - 112 Acros Organics
MP 110 TCI
mp 110.5 - 111 MolMall (formerly Molecular Diversity Preservation International)
melting_point 125 - 126 KeyOrganics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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