UCSF

ZINC02578551

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 19 Yes

Popular Name: 7-(4-methoxyphenyl)-4,7-dioxoheptanoic acid 7-(4-methoxyphenyl)-4,7-dioxohep…

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CAS Number: 24090-40-2

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) 1.01 1.57 -49.2 0 5 -1 83 263.269 8 ↓

Vendor Notes

Note Type Comments Provided By
MP 119° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.