UCSF

ZINC32149231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 Yes

Popular Name: DNC014032 DNC014032

Find On: PubMed — Wikipedia — Google

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) 4.41 8.19 -10.29 0 2 0 34 282.364 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABH-2-B Beta-ketoacyl-ACP Synthase III (cluster #2 Of 2), Bacterial Bacteria 138 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FABH_MYCTU P0A574 3-oxoacyl-[acyl-carrier-protein] Synthase III, Myctu 138.1 0.48 Binding ≤ 1μM
FABH_MYCTU P0A574 3-oxoacyl-[acyl-carrier-protein] Synthase III, Myctu 138.1 0.48 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.