UCSF

ZINC02141025

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 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) 4.12 2.19 -5.01 0 1 0 13 174.243 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 114-116?/8mm Alfa-Aesar
Boiling_Point 114-116°/8mm Alfa-Aesar
BP 129 / 15 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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