UCSF

ZINC04760152

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 19 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) -1.35 -2.3 -53.23 2 6 -1 98 263.273 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50184-1-O Micrococcus Luteus (cluster #1 Of 1), Other Other 9800 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50184 Z50184 Micrococcus Luteus 9800 0.37 Functional ≤ 10μM

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