UCSF

ZINC00347856

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 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) 1.52 4.64 -45.24 3 3 1 54 214.672 4
Mid Mid (pH 6-8) 1.52 4.31 -5.78 2 3 0 52 213.664 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 186-189? dec Alfa-Aesar
MP 186-189° Oakwood Chemical
Purity 95% Matrix Scientific
Purity >99% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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