UCSF

ZINC48551259

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 20 Yes

CAS Number: 1314241-44-5

Other Names:

N/A

UNC-669

UNC669

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) 1.45 7.41 -41.93 1 4 1 38 339.257 2

Vendor Notes

Note Type Comments Provided By
Target Epigenetic Reader Domain Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LMBL1-1-E Lethal(3)malignant Brain Tumor-like Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LMBL1_HUMAN Q9Y468 Lethal(3)malignant Brain Tumor-like Protein 1, Human 10000 0.35 Binding ≤ 10μM

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

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