UCSF

ZINC00157209

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 3.12 0.95 -7.52 0 1 0 17 213.074 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 144-145?/20mm Alfa-Aesar
Boiling_Point 144-145°/20mm Alfa-Aesar
BP 145 / 20 TCI
Melting_Point 38-41? Alfa-Aesar
Melting_Point 38-41° Alfa-Aesar
MP 39 - 41 Enamine Building Blocks
MP 39...41 Enamine Building Blocks
MP 41 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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