UCSF

ZINC00167992

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 20 No

Popular Name: 3-[2-(3,5-dimethylphenoxy)phenyl]-2-propenoic acid 3-[2-(3,5-dimethylphenoxy)phenyl…

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CAS Numbers: 1164512-23-5 , 338393-75-2

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) 4.26 2.41 -56.06 0 3 -1 49 267.304 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 201 - 203 KeyOrganics
MP 201-203° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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