UCSF

ZINC19361838

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) -0.13 2.14 -38.04 2 3 1 33 178.259 2
Hi High (pH 8-9.5) -0.13 0.79 -4.72 1 3 0 28 177.251 2
Lo Low (pH 4.5-6) -0.13 2.19 -84.3 3 3 2 34 179.267 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
BP 91-93° Oakwood Chemical
purity 95 Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1999054308A1 IBM Patent Data

Activity (Go SEA)

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