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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: (3R)-3-methyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[[(1S)-1-(2H-tet…

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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) -0.09 1.82 -87.98 1 9 -2 125 266.261 3 ↓
Lo Low (pH 4.5-6) -0.09 1.82 -51.07 2 9 -1 127 267.269 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[[(1R)-1-(2H-tet…

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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) -0.09 1.82 -90 1 9 -2 125 266.261 3 ↓
Lo Low (pH 4.5-6) -0.09 1.82 -51.44 2 9 -1 127 267.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[[(1S)-1-(2H-tet…

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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) -0.09 1.91 -96.08 1 9 -2 125 266.261 3 ↓
Lo Low (pH 4.5-6) -0.09 1.91 -54.31 2 9 -1 127 267.269 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[[(1R)-1-(2H-tet…

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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) -0.09 1.9 -92.03 1 9 -2 125 266.261 3 ↓
Lo Low (pH 4.5-6) -0.09 1.9 -53.92 2 9 -1 127 267.269 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[[(1S)-1-(2H-tetr…

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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) 0.25 2.39 -86.68 1 9 -2 125 280.288 4 ↓
Lo Low (pH 4.5-6) 0.25 2.39 -47.1 2 9 -1 127 281.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[[(1S)-1-(2H-tetr…

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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) 0.25 2.42 -92.21 1 9 -2 125 280.288 4 ↓
Lo Low (pH 4.5-6) 0.25 2.42 -53.8 2 9 -1 127 281.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[[(1R)-1-(2H-tetr…

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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) 0.25 2.39 -84.51 1 9 -2 125 280.288 4 ↓
Lo Low (pH 4.5-6) 0.25 2.39 -46.7 2 9 -1 127 281.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[[(1R)-1-(2H-tetr…

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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) 0.25 2.42 -96.36 1 9 -2 125 280.288 4 ↓
Lo Low (pH 4.5-6) 0.25 2.42 -54.27 2 9 -1 127 281.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3S)-3-propyl-1-[[(1S)-1-(2H-tet…

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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) 0.81 3.15 -87.17 1 9 -2 125 294.315 5 ↓
Lo Low (pH 4.5-6) 0.81 3.15 -47.39 2 9 -1 127 295.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-propyl-1-[[(1S)-1-(2H-tet…

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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) 0.81 3.19 -92.66 1 9 -2 125 294.315 5 ↓
Lo Low (pH 4.5-6) 0.81 3.19 -54.17 2 9 -1 127 295.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3S)-3-propyl-1-[[(1R)-1-(2H-tet…

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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) 0.81 3.15 -85.06 1 9 -2 125 294.315 5 ↓
Lo Low (pH 4.5-6) 0.81 3.15 -47.06 2 9 -1 127 295.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic (3R)-3-propyl-1-[[(1R)-1-(2H-tet…

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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) 0.81 3.19 -96.82 1 9 -2 125 294.315 5 ↓
Lo Low (pH 4.5-6) 0.81 3.19 -54.63 2 9 -1 127 295.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1H-tetrazol-5-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) -0.65 1.13 -87.9 1 9 -2 125 252.234 3 ↓
Lo Low (pH 4.5-6) -0.65 1.13 -51.41 2 9 -1 127 253.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1H-tetrazol-5-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) -0.65 1.25 -93.74 1 9 -2 125 252.234 3 ↓
Lo Low (pH 4.5-6) -0.65 1.25 -55.67 2 9 -1 127 253.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1H-tetrazol-5-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) -0.31 1.7 -84.78 1 9 -2 125 266.261 4 ↓
Lo Low (pH 4.5-6) -0.31 1.7 -47.11 2 9 -1 127 267.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1H-tetrazol-5-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) -0.31 1.73 -93.37 1 9 -2 125 266.261 4 ↓
Lo Low (pH 4.5-6) -0.31 1.73 -55.11 2 9 -1 127 267.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(1H-tetrazol-5-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) 0.25 2.46 -85.3 1 9 -2 125 280.288 5 ↓
Lo Low (pH 4.5-6) 0.25 2.46 -47.41 2 9 -1 127 281.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(1H-tetrazol-5-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) 0.25 2.5 -93.85 1 9 -2 125 280.288 5 ↓
Lo Low (pH 4.5-6) 0.25 2.5 -55.45 2 9 -1 127 281.296 5 ↓

Parameters Provided:

ring.id = 311146
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 = 311146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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