UCSF

ZINC12503208

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) -0.15 8.39 -103.61 3 9 -2 150 463.556 12
Lo Low (pH 4.5-6) -0.15 7.21 -39.27 5 9 0 152 465.572 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0126742A1; US4485387; US5225637 IBM Patent Data

Activity (Go SEA)

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