UCSF

ZINC32789775

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 24 No

Popular Name: 14,15-epoxyarachidonic acid; 15-HPAA; 15-HPEA; 15-HPETE; 15-hydroperoxy-5,8,11,13-eicosatetraenoic acid; 15-hydroperoxy-5,8,11,14-eicosatetraenoic acid; 15-hydroperoxyarachidonic acid; 5,8,11,13-eicosatetraenoic acid, 15-hydroperoxy-; C20H32O4; LS-176614 14,15-epoxyarachidonic acid; 15-…

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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) 5.56 10.39 -49.71 1 4 -1 70 335.464 15 ↓
Lo Low (pH 4.5-6) 5.56 9.27 -11.93 2 4 0 67 336.472 15 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-2-E Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic Eukaryotes 3400 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 3400 0.32 Binding ≤ 10μM

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