UCSF

ZINC01778621

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 Yes

Popular Name: BRD-K50640845-001-01-4 BRD-K50640845-001-01-4

Find On: PubMed — Wikipedia — Google

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) 3.18 -1.86 -5.42 1 3 0 37 266.142 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HD-1-E Huntingtin (cluster #1 Of 1), Eukaryotic Eukaryotes 8130 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HD_HUMAN P42858 Huntingtin, Human 8130 0.48 Binding ≤ 10μM

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

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