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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: 2-Pyrrolidin-3-ylpyridine 2-Pyrrolidin-3-ylpyridine

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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 3.31 -42.99 2 2 1 29 149.217 1 ↓
Mid Mid (pH 6-8) 0.65 0.79 -41.07 1 2 0 28 148.209 1 ↓
Lo Low (pH 4.5-6) 0.65 3.64 -93.6 3 2 2 31 150.225 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Pyrrolidin-3-ylpyridine 2-Pyrrolidin-3-ylpyridine

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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 3.36 -42.61 2 2 1 29 149.217 1 ↓
Mid Mid (pH 6-8) 0.65 0.85 -41.27 1 2 0 28 148.209 1 ↓
Lo Low (pH 4.5-6) 0.65 3.64 -93.08 3 2 2 31 150.225 1 ↓

Analogs

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Popular Name: (3R,4S)-4-(2-pyridyl)pyrrolidine-3-carboxylic (3R,4S)-4-(2-pyridyl)pyrrolidine…

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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) 0.00 3.52 -57.14 2 4 0 70 192.218 2 ↓
Hi High (pH 8-9.5) 0.00 2.06 -46.83 1 4 -1 65 191.21 2 ↓
Lo Low (pH 4.5-6) 0.00 3.94 -68.62 3 4 1 71 193.226 2 ↓

Analogs

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Popular Name: SS-2107 SS-2107

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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) 0.00 3.79 -55.17 2 4 0 70 192.218 2 ↓
Hi High (pH 8-9.5) 0.00 2.34 -48.99 1 4 -1 65 191.21 2 ↓
Lo Low (pH 4.5-6) 0.00 4.48 -82.54 3 4 1 71 193.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-(2-pyridyl)pyrrolidine-3-carboxylic (3S,4R)-4-(2-pyridyl)pyrrolidine…

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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) 0.00 4.21 -52.94 2 4 0 70 192.218 2 ↓
Hi High (pH 8-9.5) 0.00 2.75 -47.72 1 4 -1 65 191.21 2 ↓
Lo Low (pH 4.5-6) 0.00 4.49 -69.91 3 4 1 71 193.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-methyl-4-(2-pyridyl)pyrrolidine-3-carboxylic (3R,4R)-4-methyl-4-(2-pyridyl)py…

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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) 0.62 4.5 -56.9 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.62 3.06 -52.88 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.62 4.87 -89.49 3 4 1 71 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-methyl-4-(2-pyridyl)pyrrolidine-3-carboxylic (3R,4S)-4-methyl-4-(2-pyridyl)py…

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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) 0.62 4.42 -52.53 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.62 2.97 -46.03 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.62 4.81 -65.27 3 4 1 71 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-methyl-4-(2-pyridyl)pyrrolidine-3-carboxylic (3S,4R)-4-methyl-4-(2-pyridyl)py…

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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) 0.62 4.41 -52.54 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.62 2.96 -47.36 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.62 4.8 -65.32 3 4 1 71 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-methyl-4-(2-pyridyl)pyrrolidine-3-carboxylic (3S,4S)-4-methyl-4-(2-pyridyl)py…

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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) 0.62 4.54 -48.86 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.62 3.1 -53.44 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.62 4.71 -82.42 3 4 1 71 207.253 2 ↓

Analogs

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Popular Name: 2-[(2R,3S)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 2-[(2R,3S)-2-isobutyl-3-methyl-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) 2.92 6.69 -36.84 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.92 6.9 -95 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3S)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 2-[(2S,3S)-2-isobutyl-3-methyl-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) 2.92 6.92 -40.71 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.92 7.68 -94.14 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3R)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 2-[(2R,3R)-2-isobutyl-3-methyl-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) 2.92 6.51 -42.24 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.92 7.26 -95.57 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3R)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 2-[(2S,3R)-2-isobutyl-3-methyl-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) 2.92 6.76 -36.21 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.92 6.97 -95.39 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3R)-2-isobutylpyrrolidin-3-yl]pyridine 2-[(2R,3R)-2-isobutylpyrrolidin-…

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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) 2.29 5.93 -41.51 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.29 6.32 -94.91 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3R)-2-isobutylpyrrolidin-3-yl]pyridine 2-[(2S,3R)-2-isobutylpyrrolidin-…

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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) 2.29 6.09 -40.72 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.29 6.5 -94.7 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3S)-2-isobutylpyrrolidin-3-yl]pyridine 2-[(2R,3S)-2-isobutylpyrrolidin-…

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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) 2.29 5.6 -42.32 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.29 6.47 -94.36 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3S)-2-isobutylpyrrolidin-3-yl]pyridine 2-[(2S,3S)-2-isobutylpyrrolidin-…

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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) 2.29 5.89 -41.53 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.29 6.73 -93.98 3 2 2 31 206.333 3 ↓

Parameters Provided:

ring.id = 229325
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 = 229325 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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