UCSF

ZINC04084051

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 4.53 -7.54 0 3 0 43 302.414 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0427991B1; EP0548940B1; EP0576267B1; EP0623337A1; EP0623337B1; EP0729949A2; EP0729949A3; US5178872; US5626834; US5852048 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% )