UCSF

ZINC05316901

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 16 No

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) 2.80 5.35 -9.08 2 3 0 48 234.324 3
Lo Low (pH 4.5-6) 2.80 5.73 -31.99 3 3 1 49 235.332 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
MP 98 - 100 Enamine Building Blocks
MP 98...100 Enamine Building Blocks

Activity (Go SEA)

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