UCSF

ZINC25995132

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 13 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) -1.41 -0.88 -51.78 0 5 -1 70 182.155 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPC-5-B Beta-lactamase (cluster #5 Of 6), Bacterial Bacteria 800 0.66 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPC_ENTCL P05364 Beta-lactamase, Entcl 800 0.66 Binding ≤ 1μM
AMPC_ENTCL P05364 Beta-lactamase, Entcl 800 0.66 Binding ≤ 10μM

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