UCSF

ZINC54956969

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 19 Yes

Other Names:

MFCD14581088

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) 0.56 3.36 -47.7 2 6 1 65 273.353 2
Mid Mid (pH 6-8) 0.56 2.01 -10.22 1 6 0 60 272.345 2

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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