UCSF

ZINC14980571

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 20 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) 4.75 9.71 -46.33 0 6 -1 95 280.3 9

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LPXC-1-B UDP-3-O-acyl-GlcNAc Deacetylase (cluster #1 Of 2), Bacterial Bacteria 6400 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LPXC_AQUAE O67648 UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine Deacetylase, Aquae 6400 0.36 Binding ≤ 10μM

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