UCSF

ZINC26506744

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 12 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) 3.72 6.04 -8.43 0 1 0 13 242.503 0

Vendor Notes

Note Type Comments Provided By
MP 112 - 114 Enamine Building Blocks
MP 112...114 Enamine Building Blocks
mp 113 - 114 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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