UCSF

ZINC06197581

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) 0.99 1.9 -26.46 4 3 1 56 126.183 1
Mid Mid (pH 6-8) 0.99 1.78 -5.93 3 3 0 55 125.175 1
Mid Mid (pH 6-8) 0.99 1.83 -5.58 3 3 0 55 125.175 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0646584A1; US5475114 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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