UCSF

ZINC26892799

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 11 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) 2.66 5.21 -49.8 0 2 -1 40 265.001 1

Vendor Notes

Note Type Comments Provided By
mp 174 - 176 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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