UCSF

ZINC04205793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 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) 1.43 4.85 -6.38 2 3 0 52 163.224 0
Lo Low (pH 4.5-6) 1.43 5.29 -25.77 3 3 1 53 164.232 0
Lo Low (pH 4.5-6) 1.43 5.29 -26.62 3 3 1 53 164.232 0

Vendor Notes

Note Type Comments Provided By
MP 181 - 185 Enamine Building Blocks
MP 182 - 184 Enamine Building Blocks
MP 182...184 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% )