UCSF

ZINC11805409

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) -1.05 -4.96 -46.06 4 4 1 70 166.204 3
Lo Low (pH 4.5-6) -1.05 -4.9 -93.2 5 4 2 71 167.212 3

Vendor Notes

Note Type Comments Provided By
MP 221 - 223 Enamine Building Blocks
MP 221...223 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5656253; WO1992005154A1 IBM Patent Data

Activity (Go SEA)

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