UCSF

ZINC04203206

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 48 No

Popular Name: 4-tert-Butylcalix[4]arene 4-tert-Butylcalix[4]arene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104-54-1 , 60705-62-6 , 97600-39-0 , [104-54-1] , [60705-62-6]

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) 11.22 2.37 -4.72 4 4 0 80 648.928 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 156 - 157 KeyOrganics
Melting_Point 339-344? Alfa-Aesar
Melting_Point 339-344° Alfa-Aesar
Mp [°C] >300 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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