UCSF

ZINC13116163

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 12 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) -0.39 -2.7 -34.9 4 5 1 70 174.224 4
Ref Reference (pH 7) -0.52 -2.4 -6.63 3 5 0 71 173.216 3
Ref Reference (pH 7) -0.52 -2.73 -6.94 3 5 0 71 173.216 3
Mid Mid (pH 6-8) -0.52 -0.14 -40.37 4 5 1 72 174.224 3
Mid Mid (pH 6-8) -0.52 -0.45 -38.73 4 5 1 72 174.224 3
Lo Low (pH 4.5-6) -0.39 -0.42 -105.25 5 5 2 72 175.232 4

Vendor Notes

Note Type Comments Provided By
MP 159 - 161 Enamine Building Blocks
MP 159...161 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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