UCSF

ZINC28542271

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 24 No

Popular Name: 7-(1H-benzo[f]benzimidazol-2-yl)-1,1,1-trifluoro-heptan-2-one 7-(1H-benzo[f]benzimidazol-2-yl)…

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) 4.52 10.29 -15.05 1 3 0 46 334.341 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HDAH-1-B Histone Deacetylase-like Amidohydrolase (cluster #1 Of 2), Bacterial Bacteria 600 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HDAH_ALCSD Q70I53 Histone Deacetylase-like Amidohydrolase, Alcsd 600 0.36 Binding ≤ 1μM
HDAH_ALCSD Q70I53 Histone Deacetylase-like Amidohydrolase, Alcsd 1400 0.34 Binding ≤ 10μM

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

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