UCSF

ZINC21991805

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) 4.12 13.62 -59.57 1 7 -1 99 499.568 8
Mid Mid (pH 6-8) 2.98 13.11 -34.39 1 7 0 93 500.576 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4389524; US4477658; US4591642 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.