UCSF

ZINC28641070

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 14 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) 0.73 1.35 -63.52 1 5 -1 87 195.15 3
Mid Mid (pH 6-8) 0.73 2.14 -118.69 0 5 -2 89 194.142 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50186-1-O Staphylococcus Epidermidis (cluster #1 Of 2), Other Other 2550 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50186 Z50186 Staphylococcus Epidermidis 2550 0.56 Functional ≤ 10μM

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