UCSF

ZINC08672849

Annotations

Vendors

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) -0.40 0.06 -19.16 3 3 0 59 110.116 0
Mid Mid (pH 6-8) 0.06 -1.85 -31.08 4 3 1 60 111.124 0

Vendor Notes

Note Type Comments Provided By
MP 139-145° Oakwood Chemical
Melting_Point 145-149? Alfa-Aesar
Melting_Point 145-149° Alfa-Aesar
MP 156 - 158 Enamine Building Blocks
MP 156...158 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5238937 IBM Patent Data

Activity (Go SEA)

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

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