UCSF

ZINC01714192

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 22 No

Popular Name: DNC009606 DNC009606

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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) 2.89 -1.76 -11.49 0 4 0 68 312.346 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77078-1-E Beta-ketoacyl-ACP-synthase III (cluster #1 Of 1), Eukaryotic Eukaryotes 1425 0.37 Binding ≤ 10μM
FABH-1-B Beta-ketoacyl-ACP Synthase III (cluster #1 Of 2), Bacterial Bacteria 2 0.55 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 1.99 0.55 Binding ≤ 1μM
FABH_MYCTU P0A574 3-oxoacyl-[acyl-carrier-protein] Synthase III, Myctu 1.99 0.55 Binding ≤ 10μM
O77078_PLAFA O77078 Beta-ketoacyl-ACP-synthase III, Plafa 1425 0.37 Binding ≤ 10μM

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

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