UCSF

ZINC00409897

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 Yes

Popular Name: (4-TERT-BUTYLPHENYL)BENZOATE (4-TERT-BUTYLPHENYL)BENZOATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14041-81-7 , 26459-51-8

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) 5.51 11 -7.16 0 2 0 26 254.329 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4988662 IBM Patent Data

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

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