UCSF

ZINC26895627

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 13 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) 2.13 4.17 -6.8 3 3 0 55 173.219 2
Ref Reference (pH 7) 2.13 4.15 -6.6 3 3 0 55 173.219 2
Lo Low (pH 4.5-6) 2.13 4.23 -32.83 4 3 1 56 174.227 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 124-128? Alfa-Aesar
Melting_Point 124-128° 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.