UCSF

ZINC19615795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 14 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) 2.81 5.88 -6.78 0 1 0 13 197.159 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 65-66? Alfa-Aesar
Melting_Point 65-66° Alfa-Aesar
MP 65-67° Matrix Scientific
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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