UCSF

ZINC39564224

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 18 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) 2.77 7.23 -126.41 4 2 2 33 240.35 2
Hi High (pH 8-9.5) 2.77 4.57 -3.82 2 2 0 24 238.334 2
Hi High (pH 8-9.5) 2.77 5.88 -39.93 3 2 1 29 239.342 2
Hi High (pH 8-9.5) 2.77 5.94 -42.37 3 2 1 29 239.342 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 156-159? Alfa-Aesar
Melting_Point 156-159° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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