UCSF

ZINC04517568

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 28 Yes

CAS Number: 13285-17-1

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 8.94 -13.59 2 5 0 65 393.512 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX15-2-E Arachidonate 15-lipoxygenase (cluster #2 Of 5), Eukaryotic Eukaryotes 3730 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX15_RABIT P12530 Arachidonate 15-lipoxygenase, Rabit 3730 0.27 Binding ≤ 10μM

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

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