UCSF

ZINC02539290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 No

CAS Number: 4500-58-7

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.03 -0.02 -43.85 0 0 -1 0 137.227 1

Vendor Notes

Note Type Comments Provided By
BP 117°/30mm Fluorochem
Boiling_Point 203-205? Alfa-Aesar
Boiling_Point 203-205° Alfa-Aesar
Purity 98% Fluorochem

Activity (Go SEA)

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