UCSF

ZINC02041276

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) 0.98 -1.01 -22.74 2 5 0 75 279.134 3

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.316 Bitter DB
PUBCHEM_PATENT_ID EP1021204A2; EP1027339A1; US5446070; US5656286; US5719197; US6024976; US6093820; US6165500; WO1996040086A2; WO1999015210A2; WO1999018084A1; WO2000048636A1 IBM Patent Data

Activity (Go SEA)

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

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