UCSF

ZINC02527448

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 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) 3.75 5.91 -5.07 0 1 0 13 242.503 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 148-150? Alfa-Aesar
Melting_Point 148-150° Alfa-Aesar
MP 159 - 161 Enamine Building Blocks
MP 159...161 Enamine Building Blocks
mp 168 - 169 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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