UCSF

ZINC58569274

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 28 No

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

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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) 4.13 10.13 -50.35 3 6 1 71 387.548 10 ↓
Hi High (pH 8-9.5) 4.13 7.91 -17.05 2 6 0 70 386.54 10 ↓

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 6000 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLD1_HUMAN Q13393 Phospholipase D1, Human 6000 0.26 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.