UCSF

ZINC19685110

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) -1.09 0.07 -103.51 5 3 2 52 146.234 3
Mid Mid (pH 6-8) -1.09 -0.31 -30.87 4 3 1 51 145.226 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0576913A2; EP0576913B1; EP0576915A2; EP0576915B1; EP0583578A2; EP0583578B1; EP0590271A2; EP0590271B1; EP0590489A2; EP0590489B1; US5432169; US5444082; US5478817; US5521167; US5556846; US5567697; US5591734; US5593982; US5721227; WO2000007991A1 IBM Patent Data

Activity (Go SEA)

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