UCSF

ZINC01712450

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 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) 3.24 1.61 -6.22 0 1 0 17 174.243 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 136-140?/16mm Alfa-Aesar
Boiling_Point 136-140°/16mm Alfa-Aesar
BP 159 / 27 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem

Activity (Go SEA)

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