UCSF

ZINC40822858

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 30 Yes

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) 4.62 8.68 -44.97 1 6 -1 87 440.262 4
Hi High (pH 8-9.5) 4.62 9.45 -102.86 0 6 -2 90 439.254 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50186-2-O Staphylococcus Epidermidis (cluster #2 Of 2), Other Other 2600 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50186 Z50186 Staphylococcus Epidermidis 2600 0.26 Functional ≤ 10μM

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