UCSF

ZINC38528619

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 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) 2.66 3.7 -2.67 0 1 0 13 165.982 0

Vendor Notes

Note Type Comments Provided By
mp 34 - 35 MolMall (formerly Molecular Diversity Preservation International)
MP 54-56° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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