UCSF

ZINC02539254

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 No

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) -0.52 3.91 -13.32 0 4 0 53 160.169 6

Vendor Notes

Note Type Comments Provided By
BP 120 / 20 TCI
Boiling_Point 120-122?/20mm Alfa-Aesar
Boiling_Point 120-122°/20mm Alfa-Aesar
MP 53 - 55 Enamine Building Blocks
MP 53...55 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% )

No pre-computed analogs available. Try a structural similarity search.