UCSF

ZINC04198755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 11 Yes

CAS Numbers: 99365-48-7 , [99365-48-7]

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) 1.87 3.56 -6.15 1 2 0 29 212.046 0

Vendor Notes

Note Type Comments Provided By
melting_point 216 - 218 KeyOrganics
MP 216-218° Matrix Scientific
Purity 95% Fluorochem
Purity 98% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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