UCSF

ZINC04059838

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 21 No

Popular Name: 1,3-Indandione, 2-(2-naphthyl)-; 2-(2-Naphthyl)-1H-indene-1,3(2H)-dione; 2-beta-Naftyloindandion-1,3 [Polish]; BRN 1979355; LS-81247 1,3-Indandione, 2-(2-naphthyl)-;…

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Other Names:

MFCD00414846

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) 4.73 10.42 -47.49 0 2 -1 40 271.295 1 ↓
Mid Mid (pH 6-8) 4.05 3.43 -16.08 0 2 0 34 272.303 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-6-E Arachidonate 5-lipoxygenase (cluster #6 Of 6), Eukaryotic Eukaryotes 3200 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 3200 0.37 Binding ≤ 10μM

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

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