UCSF

ZINC20358093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 8 Yes

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) 2.63 3.02 -5.62 0 2 0 26 240.431 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 110-120? Alfa-Aesar
melting_point 118 - 120 KeyOrganics
MP 118-120° Matrix Scientific
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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