UCSF

ZINC66055004

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 9 Yes

Other Names:

MFCD19221449

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) 0.68 4.44 -27.62 2 2 1 30 123.179 1
Mid Mid (pH 6-8) 0.68 4.01 -6.19 1 2 0 29 122.171 1

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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

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