UCSF

ZINC89222290

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2013 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
Hi High (pH 8-9.5) 3.94 9.25 -3.44 0 1 0 17 246.394 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 156-159? Alfa-Aesar
Melting_Point 156-159° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.