UCSF

ZINC02386486

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 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) 1.36 1.29 -54.33 1 3 -1 60 155.104 1

Vendor Notes

Note Type Comments Provided By
mp 185 - 187 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% 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.