UCSF

ZINC58563937

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 37 No

Popular Name: 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide 4-fluoro-N-(4-fluorobenzoyl)-N-[…

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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) 3.04 13.97 -72.01 2 7 1 80 505.545 6 ↓
Hi High (pH 8-9.5) 3.04 11.86 -19.88 1 7 0 78 504.537 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLD1-1-E Phospholipase D1 (cluster #1 Of 2), Eukaryotic Eukaryotes 48 0.28 Binding ≤ 10μM
PLD2-1-E Phospholipase D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 470 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLD1_HUMAN Q13393 Phospholipase D1, Human 48 0.28 Binding ≤ 1μM
PLD2_HUMAN O14939 Phospholipase D2, Human 470 0.24 Binding ≤ 1μM
PLD1_HUMAN Q13393 Phospholipase D1, Human 1400 0.22 Binding ≤ 10μM
PLD2_HUMAN O14939 Phospholipase D2, Human 2200 0.21 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Role of phospholipids in phagocytosis
Synthesis of PA
Synthesis of PG

Rings

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

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