UCSF

ZINC13476440

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 21 Yes

Popular Name: 6-chloro-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine 6-chloro-N-[2-(4-chlorophenyl)et…

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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) 4.66 10.34 -7.72 1 3 0 38 318.207 4 ↓

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 3440 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HD_HUMAN P42858 Huntingtin, Human 3440 0.36 Binding ≤ 10μM

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

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