UCSF

ZINC00096779

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 No

Popular Name: (4E)-4-[4-(diethylamino)benzylidene]-2-phenyl-2-oxazolin-5-one (4E)-4-[4-(diethylamino)benzylid…

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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) 4.17 1.15 -10.07 0 4 0 46 320.392 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
INHA-3-B Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial Bacteria 3310 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
INHA_MYCTU P0A5Y6 Enoyl-[acyl-carrier-protein] Reductase, Myctu 3310 0.32 Binding ≤ 10μM

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

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