UCSF

ZINC14909848

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 12 No

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) 2.44 3.53 -9.46 1 3 0 46 225.045 1
Mid Mid (pH 6-8) 2.44 3.5 -7.76 1 3 0 46 225.045 1
Mid Mid (pH 6-8) 2.53 2.87 -36.07 1 3 1 43 226.053 1
Mid Mid (pH 6-8) 2.53 2.86 -36.07 1 3 1 43 226.053 1

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.