UCSF

ZINC66128583

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 22 Yes

Popular Name: 1-[6-chloro-5-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic 1-[6-chloro-5-(trifluoromethyl)-…

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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) 2.87 8.89 -43.19 1 6 -1 87 329.645 3 ↓
Hi High (pH 8-9.5) 2.87 8.42 -89.29 0 6 -2 85 328.637 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGLN1-1-E Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 79 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGLN1_HUMAN Q9GZT9 Egl Nine Homolog 1, Human 79.4328235 0.45 Binding ≤ 1μM
EGLN1_HUMAN Q9GZT9 Egl Nine Homolog 1, Human 79.4328235 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha

Rings

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

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