UCSF

ZINC33358763

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2009 23 Yes

CAS Numbers: 154361-50-9 , 161599-46-8

Download: MOL2 SDF SMILES Flexibase

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) -0.06 3.82 -20.65 2 9 0 123 329.284 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5453497 IBM Patent Data
Purity ¡Ý98.5% APIChem

Activity (Go SEA)

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

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