UCSF

ZINC00163246

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 9 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) 1.76 1.73 -25.89 3 2 1 40 164.015 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 172-176? Alfa-Aesar
Melting_Point 172-176° Alfa-Aesar
MP 174-176° Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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