UCSF

ZINC04273538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 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) -0.58 3.07 -43.68 3 1 1 28 120.175 0

Vendor Notes

Note Type Comments Provided By
mp 186 - 190 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 255-256? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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