UCSF

ZINC21986090

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

CAS Numbers: 83480-29-9 , [83480-29-9]

Other Names:

MFCD00865496

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) -3.98 -12.01 -33.97 9 8 1 158 268.286 5

Vendor Notes

Note Type Comments Provided By
Purity 99% Fluorochem

Activity (Go SEA)

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

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