UCSF

ZINC19362216

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) -0.25 3.55 -61.16 1 4 0 48 172.228 3
Hi High (pH 8-9.5) -0.25 0.13 -44.86 0 4 -1 47 171.22 3

Vendor Notes

Note Type Comments Provided By
MP 109-111° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0494956B1; US6127467; WO1991004952A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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