UCSF

ZINC00156513

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 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) 2.93 -0.1 -45.47 0 2 -1 40 234.456 1

Vendor Notes

Note Type Comments Provided By
MP 150-152° Fluorochem
MP 152-154° Matrix Scientific
Melting_Point 152-156? Alfa-Aesar
Melting_Point 152-156° Alfa-Aesar
MP 153-155° Oakwood Chemical
MP 155 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Purity 98+% 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.