UCSF

ZINC05820982

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) 3.22 -1.14 -11.89 2 4 0 66 294.391 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0810868A1; US5536506; US5744161; US5972382; WO1996025939A1; WO1997039355A1; WO2000002569A2; WO2000051576A2 IBM Patent Data

Activity (Go SEA)

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