UCSF

ZINC00000616

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) 2.77 3.62 -62.19 0 4 -1 66 245.254 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0211004A1; EP0370153A1; US5135953; US5420163; US5776981; US5776982 IBM Patent Data

Activity (Go SEA)

Rings

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