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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) -0.06 1.09 -18.32 4 8 0 113 317.349 3 ↓

Analogs

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Popular Name: N-isobutyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide N-isobutyl-4-(2-oxo-3H-benzimida…

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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) 2.89 6.75 -17.1 2 6 0 70 316.405 3 ↓

Analogs

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Popular Name: 3-[1-[3-(2,2,2-trifluoroethoxy)propyl]-4-piperidyl]-1H-benzimidazol-2-one 3-[1-[3-(2,2,2-trifluoroethoxy)p…

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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) 2.74 8.35 -46.8 2 5 1 51 358.384 7 ↓
Hi High (pH 8-9.5) 2.74 6.14 -13.3 1 5 0 50 357.376 7 ↓

Analogs

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

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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 3200 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLD1_HUMAN Q13393 Phospholipase D1, Human 3200 0.21 Binding ≤ 10μM

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) 8.15 16.38 -50.13 3 6 1 71 499.764 18 ↓
Hi High (pH 8-9.5) 8.15 14.16 -16.89 2 6 0 70 498.756 18 ↓

Analogs

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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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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

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 ↓

Analogs

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Popular Name: N-allyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide N-allyl-4-(2-oxo-3H-benzimidazol…

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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) 2.41 5.76 -17.22 2 6 0 70 300.362 3 ↓

Analogs

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Popular Name: tert-butyl 4-(5-fluoro-6-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)piperidine-1-carboxylate tert-butyl 4-(5-fluoro-6-methyl-…

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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) 3.11 8 -13.87 1 6 0 67 349.406 3 ↓

Analogs

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Popular Name: N-[(1R)-1-methylhexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide N-[(1R)-1-methylhexyl]-4-(2-oxo-…

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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) 4.54 9.3 -16.44 2 6 0 70 358.486 6 ↓

Analogs

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Popular Name: N-[(1S)-1-methylhexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide N-[(1S)-1-methylhexyl]-4-(2-oxo-…

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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) 4.54 9.33 -17.07 2 6 0 70 358.486 6 ↓

Analogs

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Popular Name: 2-[3-[1-(3,3-dimethylbutyl)-4-piperidyl]-2-oxo-benzimidazol-1-yl]-N-methyl-acetamide 2-[3-[1-(3,3-dimethylbutyl)-4-pi…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRM-3-E Mu-type Opioid Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 2707 0.29 Binding ≤ 10μM
OPRX-1-E Nociceptin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 186 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRX_HUMAN P41146 Nociceptin Receptor, Human 186 0.35 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 2707 0.29 Binding ≤ 10μM
OPRX_HUMAN P41146 Nociceptin Receptor, Human 186 0.35 Binding ≤ 10μM

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) 2.71 10.34 -46.58 2 6 1 60 373.521 6 ↓

Analogs

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Popular Name: 2-[3-(1-isohexyl-4-piperidyl)-2-oxo-benzimidazol-1-yl]-N-methyl-acetamide 2-[3-(1-isohexyl-4-piperidyl)-2-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRX-1-E Nociceptin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 471 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRX_HUMAN P41146 Nociceptin Receptor, Human 471 0.33 Binding ≤ 1μM
OPRX_HUMAN P41146 Nociceptin Receptor, Human 471 0.33 Binding ≤ 10μM

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) 2.66 10.77 -46.73 2 6 1 60 373.521 7 ↓

Analogs

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Popular Name: 3-[1-(4-methoxybutanoyl)-4-piperidyl]-1H-benzimidazol-2-one 3-[1-(4-methoxybutanoyl)-4-piper…

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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) 1.41 6.08 -18.6 1 6 0 67 317.389 5 ↓

Parameters Provided:

ring.id = 1320
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 1320 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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