UCSF

ZINC04096762

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) 2.25 -3.96 -11.22 3 4 0 77 350.499 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0768895A1; US5474765; US5693767; US6093805; WO1990005528A2; WO1995002424A1; WO1995032981A1; WO1996001127A1; WO2000067708A2 IBM Patent Data

Activity (Go SEA)

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