UCSF

ZINC28090837

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) 3.41 6.16 -41.62 3 5 1 57 468.445 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0832151A2; EP0941079A1; US5603955; US5840338; US5939485; WO1996002239A2; WO1996002276A2; WO1997000275A2; WO1998016209A2; WO1999030671A2; WO1999042091A2; WO2000063409A1 IBM Patent Data

Activity (Go SEA)

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