UCSF

ZINC04206416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 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) 1.78 3.83 -52.68 0 3 -1 49 165.168 3

Vendor Notes

Note Type Comments Provided By
BP 120-126°/0.1mm Oakwood Chemical
MP 64 - 66 Enamine Building Blocks
MP 64-66° Oakwood Chemical
MP 64...66 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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