UCSF

ZINC03883213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 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) 3.99 1.81 -8.75 0 2 0 36 249.1 1

Vendor Notes

Note Type Comments Provided By
melting_point 180 - 183 KeyOrganics
MP 180-183° Matrix Scientific
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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