UCSF

ZINC14984920

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 12 No

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) 1.37 4.45 -8.39 1 5 0 75 163.136 1
Hi High (pH 8-9.5) 2.41 3.26 -19.89 5 9 0 142 449.421 5
Lo Low (pH 4.5-6) 1.37 4.69 -36.58 2 5 1 76 164.144 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 280? dec. Alfa-Aesar
Melting_Point 280° dec. Alfa-Aesar
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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