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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-[(3S)-quinuclidin-3-yl]benzimidazol-5-amine 1-[(3S)-quinuclidin-3-yl]benzimi…

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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) 1.20 5.93 -47.71 3 4 1 48 243.334 1 ↓
Hi High (pH 8-9.5) 1.20 3.5 -7.66 2 4 0 47 242.326 1 ↓
Lo Low (pH 4.5-6) 1.20 6.42 -95 4 4 2 50 244.342 1 ↓

Analogs

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Popular Name: 1-[(3R)-quinuclidin-3-yl]benzimidazol-5-amine 1-[(3R)-quinuclidin-3-yl]benzimi…

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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) 1.20 5.93 -47.72 3 4 1 48 243.334 1 ↓
Hi High (pH 8-9.5) 1.20 3.5 -7.66 2 4 0 47 242.326 1 ↓
Lo Low (pH 4.5-6) 1.20 6.42 -95.04 4 4 2 50 244.342 1 ↓

Analogs

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Popular Name: 2-methyl-1-[(3S)-quinuclidin-3-yl]benzimidazol-5-amine 2-methyl-1-[(3S)-quinuclidin-3-y…

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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) 1.29 5.82 -48.36 3 4 1 48 257.361 1 ↓
Hi High (pH 8-9.5) 1.29 3.39 -9.22 2 4 0 47 256.353 1 ↓
Mid Mid (pH 6-8) 1.29 6.26 -89.94 4 4 2 50 258.369 1 ↓

Analogs

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Popular Name: 2-methyl-1-[(3R)-quinuclidin-3-yl]benzimidazol-5-amine 2-methyl-1-[(3R)-quinuclidin-3-y…

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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) 1.29 5.84 -47.19 3 4 1 48 257.361 1 ↓
Hi High (pH 8-9.5) 1.29 3.41 -9.17 2 4 0 47 256.353 1 ↓
Mid Mid (pH 6-8) 1.29 6.27 -85.68 4 4 2 50 258.369 1 ↓

Analogs

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Popular Name: 2-ethyl-1-[(3S)-quinuclidin-3-yl]benzimidazol-5-amine 2-ethyl-1-[(3S)-quinuclidin-3-yl…

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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) 1.86 6.26 -47.95 3 4 1 48 271.388 2 ↓
Hi High (pH 8-9.5) 1.86 3.84 -8.84 2 4 0 47 270.38 2 ↓
Mid Mid (pH 6-8) 1.86 6.64 -84.92 4 4 2 50 272.396 2 ↓

Analogs

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Popular Name: 2-ethyl-1-[(3R)-quinuclidin-3-yl]benzimidazol-5-amine 2-ethyl-1-[(3R)-quinuclidin-3-yl…

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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) 1.86 6.24 -48.1 3 4 1 48 271.388 2 ↓
Hi High (pH 8-9.5) 1.86 3.81 -8.91 2 4 0 47 270.38 2 ↓
Mid Mid (pH 6-8) 1.86 6.7 -87.15 4 4 2 50 272.396 2 ↓

Analogs

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Popular Name: 2-propyl-1-[(3S)-quinuclidin-3-yl]benzimidazol-5-amine 2-propyl-1-[(3S)-quinuclidin-3-y…

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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) 2.36 7.02 -48.07 3 4 1 48 285.415 3 ↓
Hi High (pH 8-9.5) 2.36 4.64 -8.47 2 4 0 47 284.407 3 ↓
Mid Mid (pH 6-8) 2.36 7.46 -85.65 4 4 2 50 286.423 3 ↓

Analogs

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Popular Name: 2-propyl-1-[(3R)-quinuclidin-3-yl]benzimidazol-5-amine 2-propyl-1-[(3R)-quinuclidin-3-y…

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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) 2.36 7.05 -48.4 3 4 1 48 285.415 3 ↓
Hi High (pH 8-9.5) 2.36 4.61 -8.68 2 4 0 47 284.407 3 ↓
Mid Mid (pH 6-8) 2.36 7.45 -87.68 4 4 2 50 286.423 3 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(3S)-quinuclidin-3-yl]benzimidazol-5-amine 2-isopropyl-1-[(3S)-quinuclidin-…

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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) 2.35 6.73 -47.94 3 4 1 48 285.415 2 ↓
Hi High (pH 8-9.5) 2.35 4.29 -8.61 2 4 0 47 284.407 2 ↓
Mid Mid (pH 6-8) 2.35 7.23 -84.36 4 4 2 50 286.423 2 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(3R)-quinuclidin-3-yl]benzimidazol-5-amine 2-isopropyl-1-[(3R)-quinuclidin-…

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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) 2.35 6.73 -47.98 3 4 1 48 285.415 2 ↓
Hi High (pH 8-9.5) 2.35 4.3 -8.58 2 4 0 47 284.407 2 ↓
Mid Mid (pH 6-8) 2.35 7.21 -86.13 4 4 2 50 286.423 2 ↓

Analogs

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Popular Name: 2-methyl-1-[(3S)-quinuclidin-3-yl]benzimidazole-5-carboxylic 2-methyl-1-[(3S)-quinuclidin-3-y…

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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) 2.12 8.49 -91.98 1 5 0 62 285.347 2 ↓
Lo Low (pH 4.5-6) 2.12 8.92 -113.99 2 5 1 64 286.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(3R)-quinuclidin-3-yl]benzimidazole-5-carboxylic 2-methyl-1-[(3R)-quinuclidin-3-y…

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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) 2.12 8.51 -85.74 1 5 0 62 285.347 2 ↓
Lo Low (pH 4.5-6) 2.12 8.96 -104.48 2 5 1 64 286.355 2 ↓

Parameters Provided:

ring.id = 27399
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 = 27399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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