UCSF

ZINC05941273

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) -0.90 -1.98 -13.31 4 8 0 119 251.246 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0022762A1; EP0045944A1; EP0048022A2; EP0090417A2; EP0192315A1; EP0203959A1; EP0203959B1; EP0216510A2; EP0216510B1; EP0216511A2; EP0216511B1; EP0233031B1; EP0275065A2; EP0287313A2; EP0287313B1; EP0411158A1; EP0411158B1; EP0420872A1; EP0420872B1; EP058215 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101399; .25 water NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101399; SALT: .25 water NIH Clinical Collection via PubChem

Activity (Go SEA)

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