UCSF

ZINC43323673

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 10 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) 0.60 2.75 -103.95 4 2 2 33 144.262 2
Mid Mid (pH 6-8) 0.60 1.43 -32.11 3 2 1 29 143.254 2
Mid Mid (pH 6-8) 0.60 1.74 -37.06 3 2 1 29 143.254 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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