UCSF

ZINC38155954

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 39 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) 7.28 14.67 -12.74 2 5 0 59 558.404 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50185-3-O Staphylococcus Aureus (cluster #3 Of 4), Other Other 54 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50185 Z50185 Staphylococcus Aureus 54 0.26 Functional ≤ 10μM

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