UCSF

ZINC01682181

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) 2.68 2.44 -8.22 1 2 0 29 223.581 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0003259A1; EP0065447A1; EP0066482A1; EP0066483A1; US4292446; US4436669; US4438042; US4504595; US4822903 IBM Patent Data

Activity (Go SEA)

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