UCSF

ZINC00122268

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 19 Yes

Popular Name: 6-bromo-4-(4-ethylpiperazin-1-yl)-quinazoline 6-bromo-4-(4-ethylpiperazin-1-yl…

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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) 2.82 9.51 -39.11 1 4 1 33 322.23 2 ↓
Mid Mid (pH 6-8) 2.82 7.3 -4.4 0 4 0 32 321.222 2 ↓

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 2210 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HD_HUMAN P42858 Huntingtin, Human 2210 0.42 Binding ≤ 10μM

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