UCSF

ZINC28713782

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) -0.87 -0.53 -50.89 7 10 0 186 444.44 2
Hi High (pH 8-9.5) -0.43 0.82 -114.35 6 10 -1 188 443.432 2
Hi High (pH 8-9.5) -0.43 -0.73 -131.34 5 10 -2 187 442.424 2
Mid Mid (pH 6-8) -0.87 -2.48 -57.78 6 10 -1 184 443.432 2
Mid Mid (pH 6-8) -1.46 0.52 -79.45 6 10 0 182 444.44 2

Vendor Notes

Note Type Comments Provided By
Purity bP/USP/EP APIChem
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : D-9198; NCC_SUPPLIER_SAMPLE_COMMENTS : LIGHT-YELLOW POWDER NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: D-9198; SUPPLIER_COMMENTS: LIGHT-YELLOW POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

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

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