UCSF

ZINC04755281

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 21 No

Popular Name: [amino-(m-tolyl)methylene]amino [amino-(m-tolyl)methylene]amino

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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) 3.48 10.29 -13.69 2 4 0 65 302.761 4 ↓
Mid Mid (pH 6-8) 3.61 10.13 -31.19 3 4 1 64 303.769 5 ↓

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 6800 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX15_HUMAN P16050 Arachidonate 15-lipoxygenase, Human 6800 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of 12-eicosatetraenoic acid derivatives
Synthesis of 15-eicosatetraenoic acid derivatives
Synthesis of Leukotrienes (LT) and Eoxins (EX)

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

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