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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: 4-methyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(1S)-1-(2H-tetrazol…

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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) 0.18 2.51 -91.57 1 9 -2 125 280.288 3 ↓
Lo Low (pH 4.5-6) 0.18 2.51 -50.31 2 9 -1 127 281.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(1R)-1-(2H-tetrazol…

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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) 0.18 2.51 -87.92 1 9 -2 125 280.288 3 ↓
Lo Low (pH 4.5-6) 0.18 2.51 -50 2 9 -1 127 281.296 3 ↓

Analogs

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Popular Name: 4-methyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic 4-methyl-1-(1H-tetrazol-5-ylmeth…

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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) -0.38 1.89 -89.38 1 9 -2 125 266.261 3 ↓
Lo Low (pH 4.5-6) -0.38 1.89 -51.48 2 9 -1 127 267.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-4-carboxylic 4-ethyl-1-[[(1S)-1-(2H-tetrazol-…

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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 3.05 -87.59 1 9 -2 125 294.315 4 ↓
Lo Low (pH 4.5-6) 0.52 3.05 -49.52 2 9 -1 127 295.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-4-carboxylic 4-ethyl-1-[[(1R)-1-(2H-tetrazol-…

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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 3.06 -87.12 1 9 -2 125 294.315 4 ↓
Lo Low (pH 4.5-6) 0.52 3.06 -50.12 2 9 -1 127 295.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic 4-propyl-1-(1H-tetrazol-5-ylmeth…

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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 3.1 -88.52 1 9 -2 125 294.315 5 ↓
Lo Low (pH 4.5-6) 0.52 3.1 -50.07 2 9 -1 127 295.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic 4-ethyl-1-(1H-tetrazol-5-ylmethy…

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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) -0.04 2.36 -88.9 1 9 -2 125 280.288 4 ↓
Lo Low (pH 4.5-6) -0.04 2.36 -50.7 2 9 -1 127 281.296 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-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) 0.18 2.99 -89.28 1 9 -2 125 280.288 3 ↓
Lo Low (pH 4.5-6) 0.18 2.99 -52.19 2 9 -1 127 281.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-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) 0.18 3 -89.24 1 9 -2 125 280.288 3 ↓
Lo Low (pH 4.5-6) 0.18 3 -52.48 2 9 -1 127 281.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-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) 0.18 3.02 -88.87 1 9 -2 125 280.288 3 ↓
Lo Low (pH 4.5-6) 0.18 3.01 -52.27 2 9 -1 127 281.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-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) 0.18 3.02 -89.23 1 9 -2 125 280.288 3 ↓
Lo Low (pH 4.5-6) 0.18 3.02 -52.13 2 9 -1 127 281.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-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) 0.52 3.48 -87.4 1 9 -2 125 294.315 4 ↓
Lo Low (pH 4.5-6) 0.52 3.48 -50.64 2 9 -1 127 295.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-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) 0.52 3.51 -87.3 1 9 -2 125 294.315 4 ↓
Lo Low (pH 4.5-6) 0.52 3.51 -50.37 2 9 -1 127 295.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-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) 0.52 3.48 -87.21 1 9 -2 125 294.315 4 ↓
Lo Low (pH 4.5-6) 0.52 3.48 -50.29 2 9 -1 127 295.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoyl]piperidine-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) 0.52 3.51 -87.28 1 9 -2 125 294.315 4 ↓
Lo Low (pH 4.5-6) 0.52 3.51 -50.51 2 9 -1 127 295.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)piperidine-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) -0.38 2.33 -88.16 1 9 -2 125 266.261 3 ↓
Lo Low (pH 4.5-6) -0.38 2.33 -53.12 2 9 -1 127 267.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)piperidine-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) -0.38 2.34 -88.15 1 9 -2 125 266.261 3 ↓
Lo Low (pH 4.5-6) -0.38 2.34 -53 2 9 -1 127 267.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)piperidine-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) -0.04 2.79 -86.38 1 9 -2 125 280.288 4 ↓
Lo Low (pH 4.5-6) -0.04 2.79 -51.3 2 9 -1 127 281.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)piperidine-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) -0.04 2.82 -86.42 1 9 -2 125 280.288 4 ↓
Lo Low (pH 4.5-6) -0.04 2.82 -51.24 2 9 -1 127 281.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)piperidine-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) 0.52 3.56 -86.87 1 9 -2 125 294.315 5 ↓
Lo Low (pH 4.5-6) 0.52 3.56 -51.75 2 9 -1 127 295.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-(1H-tetrazol-5-ylmethylcarbamoyl)piperidine-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) 0.52 3.57 -86.82 1 9 -2 125 294.315 5 ↓
Lo Low (pH 4.5-6) 0.52 3.57 -51.68 2 9 -1 127 295.323 5 ↓

Parameters Provided:

ring.id = 288621
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 = 288621 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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