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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Popular Name: 3-[(2S)-2-(2-isobutylpyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2S)-2-(2-isobutylpyrazol-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) 1.65 1.62 -51.06 1 5 0 62 265.357 6 ↓

Analogs

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Popular Name: 3-[(2R)-2-(2-isobutylpyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2R)-2-(2-isobutylpyrazol-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) 1.65 1.15 -57.28 1 5 0 62 265.357 6 ↓

Analogs

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Popular Name: 3-[(2S)-2-(2-propylpyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2S)-2-(2-propylpyrazol-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) 1.41 1.1 -51.07 1 5 0 62 251.33 6 ↓

Analogs

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Popular Name: 3-[(2R)-2-(2-propylpyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2R)-2-(2-propylpyrazol-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) 1.41 0.68 -57.11 1 5 0 62 251.33 6 ↓

Analogs

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Popular Name: 3-[(2S)-2-(2-ethyl-5-methyl-pyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2S)-2-(2-ethyl-5-methyl-pyra…

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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) 1.13 1.19 -52.05 1 5 0 62 251.33 5 ↓

Analogs

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Popular Name: 3-[(2R)-2-(2-ethyl-5-methyl-pyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2R)-2-(2-ethyl-5-methyl-pyra…

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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) 1.13 1.23 -51.13 1 5 0 62 251.33 5 ↓

Analogs

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Popular Name: 3-[(2S)-2-(2,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2S)-2-(2,5-dimethylpyrazol-3…

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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) 0.75 6.17 -52.16 1 5 0 62 237.303 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-(2,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2R)-2-(2,5-dimethylpyrazol-3…

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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) 0.75 6.02 -52.04 1 5 0 62 237.303 4 ↓

Analogs

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Popular Name: 3-[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2S)-2-(2-methylpyrazol-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) 0.53 5.1 -52.75 1 5 0 62 223.276 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2R)-2-(2-methylpyrazol-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) 0.53 4.96 -57.22 1 5 0 62 223.276 4 ↓

Analogs

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Popular Name: 3-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2S)-2-(2-ethylpyrazol-3-yl)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) 0.91 5.92 -51.27 1 5 0 62 237.303 5 ↓

Analogs

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Popular Name: 3-[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]propanoic 3-[(2R)-2-(2-ethylpyrazol-3-yl)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) 0.91 5.77 -57.31 1 5 0 62 237.303 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-(2-isobutylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2S)-2-(2-isobutylpyrazol-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) 0.94 3.17 -49.2 3 4 1 49 237.371 5 ↓
Hi High (pH 8-9.5) 0.94 4.52 -36.12 3 4 1 48 237.371 5 ↓
Lo Low (pH 4.5-6) 0.94 4.9 -123.55 4 4 2 50 238.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-(2-isobutylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2R)-2-(2-isobutylpyrazol-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) 0.94 2.18 -42.44 3 4 1 49 237.371 5 ↓
Hi High (pH 8-9.5) 0.94 4 -37 3 4 1 48 237.371 5 ↓
Lo Low (pH 4.5-6) 0.94 4.38 -116.54 4 4 2 50 238.379 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-(2-propylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2S)-2-(2-propylpyrazol-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) 0.70 2.91 -48.94 3 4 1 49 223.344 5 ↓
Hi High (pH 8-9.5) 0.70 4.25 -36.89 3 4 1 48 223.344 5 ↓
Lo Low (pH 4.5-6) 0.70 4.64 -123.15 4 4 2 50 224.352 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-(2-propylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2R)-2-(2-propylpyrazol-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) 0.70 2.68 -47.72 3 4 1 49 223.344 5 ↓
Hi High (pH 8-9.5) 0.70 4.14 -36.81 3 4 1 48 223.344 5 ↓
Lo Low (pH 4.5-6) 0.70 4.52 -123.04 4 4 2 50 224.352 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-(2-ethyl-5-methyl-pyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2S)-2-(2-ethyl-5-methyl-pyra…

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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) 0.42 2.75 -49.67 3 4 1 49 223.344 4 ↓
Hi High (pH 8-9.5) 0.42 4.08 -36.77 3 4 1 48 223.344 4 ↓
Lo Low (pH 4.5-6) 0.42 4.48 -123.54 4 4 2 50 224.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-(2-ethyl-5-methyl-pyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2R)-2-(2-ethyl-5-methyl-pyra…

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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) 0.42 2.53 -48.53 3 4 1 49 223.344 4 ↓
Hi High (pH 8-9.5) 0.42 3.98 -37.77 3 4 1 48 223.344 4 ↓
Lo Low (pH 4.5-6) 0.42 4.36 -123.63 4 4 2 50 224.352 4 ↓

Analogs

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Popular Name: 2-[(2S)-2-(2,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2S)-2-(2,5-dimethylpyrazol-3…

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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 0.79 -43.02 3 4 1 49 209.317 3 ↓
Hi High (pH 8-9.5) 0.04 2.66 -37.97 3 4 1 48 209.317 3 ↓
Lo Low (pH 4.5-6) 0.04 3.05 -115.93 4 4 2 50 210.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-(2,5-dimethylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2R)-2-(2,5-dimethylpyrazol-3…

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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 1.85 -48.52 3 4 1 49 209.317 3 ↓
Hi High (pH 8-9.5) 0.04 3.3 -37.56 3 4 1 48 209.317 3 ↓
Lo Low (pH 4.5-6) 0.04 3.68 -122.66 4 4 2 50 210.325 3 ↓

Analogs

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Popular Name: 2-[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2S)-2-(2-methylpyrazol-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) -0.18 1.29 -49.13 3 4 1 49 195.29 3 ↓
Hi High (pH 8-9.5) -0.18 2.63 -36.9 3 4 1 48 195.29 3 ↓
Lo Low (pH 4.5-6) -0.18 3.03 -122.09 4 4 2 50 196.298 3 ↓

Analogs

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Popular Name: 2-[(2R)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2R)-2-(2-methylpyrazol-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) -0.18 1.31 -48 3 4 1 49 195.29 3 ↓
Hi High (pH 8-9.5) -0.18 2.77 -36.56 3 4 1 48 195.29 3 ↓
Lo Low (pH 4.5-6) -0.18 3.15 -121.93 4 4 2 50 196.298 3 ↓

Analogs

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Popular Name: 2-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2S)-2-(2-ethylpyrazol-3-yl)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) 0.20 2.16 -49.08 3 4 1 49 209.317 4 ↓
Hi High (pH 8-9.5) 0.20 3.51 -36.35 3 4 1 48 209.317 4 ↓
Lo Low (pH 4.5-6) 0.20 3.9 -122.67 4 4 2 50 210.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]ethanamine 2-[(2R)-2-(2-ethylpyrazol-3-yl)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) 0.20 1.93 -47.83 3 4 1 49 209.317 4 ↓
Hi High (pH 8-9.5) 0.20 3.4 -37.37 3 4 1 48 209.317 4 ↓
Lo Low (pH 4.5-6) 0.20 3.78 -122.58 4 4 2 50 210.325 4 ↓

Parameters Provided:

ring.id = 99352
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 = 99352 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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