UCSF

ZINC03896121

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 25 No

Popular Name: 4'-Carboxybenzo-18-crown 6-Ether 4'-Carboxybenzo-18-crown 6-Ether

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CAS Number: 60835-75-8

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) 0.54 4.3 -54.12 0 8 -1 96 355.363 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 121 - 126 Acros Organics
MP 125 TCI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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