UCSF

ZINC17174968

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 11 No

Popular Name: 1-(2-chloroethylazo)-1,3-dimethyl-urea 1-(2-chloroethylazo)-1,3-dimethy…

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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) 1.10 0.07 -6.9 1 5 0 57 178.623 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81184-4-O LOX IMVI (Melanoma Cells) (cluster #4 Of 5), Other Other 10000 0.64 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81184 Z81184 LOX IMVI (Melanoma Cells) 10000 0.64 Functional ≤ 10μM

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

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