UCSF

ZINC13542524

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) 2.44 4.79 -46.81 3 6 -1 110 448.624 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0023375A1; EP0119040A1; EP0338081A1; EP0393494A2; EP0393494B1; EP0582891B1; EP0583566A3; EP0583566B1; EP0714028A1; US4264583; US4604353; US5057509; US5166374; US5362891; US5616741; US5631138; US6165500; WO1998000169A1; WO1999015179A1; WO2000004875A2; WO IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.