UCSF

ZINC12359065

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 11 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) 2.76 0.64 -6.73 0 2 0 18 217.062 2

Vendor Notes

Note Type Comments Provided By
BP 273 TCI
purity 9.500000000000000e+001 Enamine Building Blocks
Melting_Point 91-94? Alfa-Aesar
Melting_Point 91-94° Alfa-Aesar
MP 95 TCI
MP 95 - 97 Enamine Building Blocks
Purity 95% Fluorochem
MP 95...97 Enamine Building Blocks

Activity (Go SEA)

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