UCSF

ZINC19843368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 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) 1.44 6.41 -123.69 4 2 2 32 206.333 3
Hi High (pH 8-9.5) 1.44 3.92 -44.72 3 2 1 31 205.325 3
Hi High (pH 8-9.5) 1.44 6.36 -28.39 3 2 1 30 205.325 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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