UCSF

ZINC40164199

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) 3.33 5.07 -49.81 3 5 -1 101 407.571 4
Lo Low (pH 4.5-6) 3.33 3.1 -8.69 4 5 0 98 408.579 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5589368 IBM Patent Data

Activity (Go SEA)

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