UCSF

ZINC20317302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 0.98 2.96 -26.81 3 3 1 43 164.232 1
Mid Mid (pH 6-8) 0.98 2.69 -5.77 2 3 0 42 163.224 1

Vendor Notes

Note Type Comments Provided By
MP 78 - 80 Enamine Building Blocks
MP 78...80 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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