UCSF

ZINC05829557

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) 3.61 8.15 -4.13 0 1 0 17 192.302 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0326869A2; EP0326869B1; US4990496; US5041678 IBM Patent Data

Activity (Go SEA)

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