UCSF

ZINC34791707

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) 0.01 -0.7 -2.27 1 3 0 24 170.256 1
Lo Low (pH 4.5-6) 0.01 1.55 -32.58 2 3 1 26 171.264 1
Lo Low (pH 4.5-6) 0.01 2.88 -106.41 3 3 2 30 172.272 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4048314; US4146629 IBM Patent Data

Activity (Go SEA)

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