UCSF

ZINC04084050

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) 4.73 4.67 -7.04 0 3 0 43 302.414 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0018894A1; EP0592535B1; EP0805625A1; EP0805625B1; US3966902; US4308258; US4320126; US4326058; US4356187; US5178871; US5773016; US6074656; WO1996022686A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0480679B1; EP0488660A1; EP0544518A1; EP0565354A1; EP0646314A1; EP0699389A2; EP0699389A3; EP0847691A1; US5137726; US5232701; US5707639; US5945114; US5977023 IBM Patent Data

Activity (Go SEA)

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