UCSF

ZINC02510139

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) 2.36 -0.8 -4.37 1 1 0 20 190.999 0

Vendor Notes

Note Type Comments Provided By
M.P 71-72C Indofine
MP 71-72° Matrix Scientific
Melting_Point 71-73? Alfa-Aesar
Melting_Point 71-73° Alfa-Aesar
MP 71.5-72.5° Fluorochem
BP 75°/1mm Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Purity 99% APIChem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.