UCSF

ZINC49925459

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) 2.14 6.81 -6.12 1 3 0 32 272.392 3
Ref Reference (pH 7) 3.27 7.41 -41.82 2 3 1 37 273.4 3
Hi High (pH 8-9.5) 3.27 5.17 -5.96 1 3 0 36 272.392 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0681833A3; US5603943; US5795909; WO1997044063A2; WO1999064045A1 IBM Patent Data

Activity (Go SEA)

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