UCSF

ZINC40423330

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 27 Yes

Popular Name: (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone (4-chlorophenyl)-[4-[(4-imidazol…

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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) 2.20 10.53 -11.89 0 5 0 41 380.879 4 ↓
Mid Mid (pH 6-8) 2.20 11.04 -39.83 1 5 1 43 381.887 4 ↓
Mid Mid (pH 6-8) 2.20 12.74 -57.13 1 5 1 43 381.887 4 ↓
Mid Mid (pH 6-8) 2.20 13.26 -98.36 2 5 2 44 382.895 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERG7-1-E Lanosterol Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 32 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ERG7_HUMAN P48449 Lanosterol Synthase, Human 32 0.39 Binding ≤ 1μM
ERG7_HUMAN P48449 Lanosterol Synthase, Human 32 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis

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

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