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

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1H-benzimidazole-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(1H-benzimidazole-5-carbo…

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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) 0.36 6.14 -56.22 1 6 -1 89 272.284 2 ↓
Lo Low (pH 4.5-6) 0.36 6.63 -83.02 2 6 0 90 273.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1H-benzimidazole-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(1H-benzimidazole-5-carbo…

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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) 0.36 6.24 -56.75 1 6 -1 89 272.284 2 ↓
Lo Low (pH 4.5-6) 0.36 6.73 -67.58 2 6 0 90 273.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1H-benzimidazole-5-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(1H-benzimidazole-5-carbo…

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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) 0.70 6.69 -52.23 1 6 -1 89 286.311 3 ↓
Lo Low (pH 4.5-6) 0.70 7.18 -65.15 2 6 0 90 287.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1H-benzimidazole-5-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(1H-benzimidazole-5-carbo…

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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) 0.70 6.73 -56.18 1 6 -1 89 286.311 3 ↓
Lo Low (pH 4.5-6) 0.70 7.22 -67.39 2 6 0 90 287.319 3 ↓

Analogs

41569013
41569013
41569015
41569015

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-benzimidazol-5-yl-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone 1H-benzimidazol-5-yl-[(3R)-3-(di…

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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) 0.52 6.21 -46.25 2 5 1 53 259.333 2 ↓
Hi High (pH 8-9.5) 0.52 3.82 -12.47 1 5 0 52 258.325 2 ↓
Lo Low (pH 4.5-6) 0.52 6.7 -94.93 3 5 2 55 260.341 2 ↓

Analogs

41569013
41569013
41569015
41569015

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-benzimidazol-5-yl-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone 1H-benzimidazol-5-yl-[(3S)-3-(di…

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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) 0.52 6.23 -46.32 2 5 1 53 259.333 2 ↓
Hi High (pH 8-9.5) 0.52 3.79 -12.25 1 5 0 52 258.325 2 ↓
Lo Low (pH 4.5-6) 0.52 6.72 -94.97 3 5 2 55 260.341 2 ↓

Analogs

41569015
41569015
62983773
62983773
62983774
62983774

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-benzimidazol-5-yl-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone 1H-benzimidazol-5-yl-[(3R)-3-(di…

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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) 1.27 7.25 -43.97 2 5 1 53 287.387 4 ↓

Analogs

62983773
62983773
62983774
62983774
41569013
41569013

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-benzimidazol-5-yl-[(3S)-3-(diethylamino)pyrrolidin-1-yl]methanone 1H-benzimidazol-5-yl-[(3S)-3-(di…

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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) 1.27 7.23 -44.13 2 5 1 53 287.387 4 ↓

Analogs

49498754
49498754
49498757
49498757
34124990
34124990
34124989
34124989

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(1H-benzimidazole-5-carbonyl)-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(1H-benzimidazole-5-carbo…

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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) -0.13 4.03 -22.13 2 6 0 78 272.308 2 ↓

Analogs

49498754
49498754
49498757
49498757
34124990
34124990
34124989
34124989

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(1H-benzimidazole-5-carbonyl)-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(1H-benzimidazole-5-carbo…

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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) -0.13 4.83 -22.09 2 6 0 78 272.308 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(1H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(1H-benzimidazole-5-ca…

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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) 0.28 7.73 -79.92 1 6 -1 89 272.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(1H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(1H-benzimidazole-5-ca…

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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) 0.28 7.8 -80.91 1 6 -1 89 272.284 3 ↓

Analogs

42433781
42433781

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-benzimidazol-5-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone 1H-benzimidazol-5-yl-[(2R)-2-(hy…

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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) 0.13 2.71 -13.4 2 5 0 69 245.282 2 ↓

Analogs

42433780
42433780

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-benzimidazol-5-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone 1H-benzimidazol-5-yl-[(2S)-2-(hy…

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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) 0.13 2.72 -13.43 2 5 0 69 245.282 2 ↓

Parameters Provided:

ring.id = 307127
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 = 307127 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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