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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: (3R,4R)-4-(4-pyridyl)pyrrolidine-3-carboxylic (3R,4R)-4-(4-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) 0.35 3.67 -56.03 2 4 0 70 192.218 2 ↓
Hi High (pH 8-9.5) 0.35 2.22 -42.92 1 4 -1 65 191.21 2 ↓
Lo Low (pH 4.5-6) 0.35 4.13 -67.51 3 4 1 71 193.226 2 ↓

Analogs

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Popular Name: SS-2110 SS-2110

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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) 0.35 3.88 -54.84 2 4 0 70 192.218 2 ↓
Hi High (pH 8-9.5) 0.35 2.42 -43.87 1 4 -1 65 191.21 2 ↓
Lo Low (pH 4.5-6) 0.35 4.34 -82.43 3 4 1 71 193.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-(4-pyridyl)pyrrolidine-3-carboxylic (3S,4S)-4-(4-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) 0.35 3.67 -55.95 2 4 0 70 192.218 2 ↓
Hi High (pH 8-9.5) 0.35 2.22 -43.86 1 4 -1 65 191.21 2 ↓
Lo Low (pH 4.5-6) 0.35 4.13 -67.43 3 4 1 71 193.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-methyl-4-(4-pyridyl)pyrrolidine-3-carboxylic (3R,4S)-4-methyl-4-(4-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) 0.51 4.22 -55.2 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.51 3.03 -44.08 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.51 4.68 -91.19 3 4 1 71 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-methyl-4-(4-pyridyl)pyrrolidine-3-carboxylic (3R,4R)-4-methyl-4-(4-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) 0.51 4.01 -60.17 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.51 2.56 -44.51 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.51 4.47 -70.76 3 4 1 71 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-methyl-4-(4-pyridyl)pyrrolidine-3-carboxylic (3S,4S)-4-methyl-4-(4-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) 0.51 4.02 -60.11 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.51 2.56 -45.43 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.51 4.47 -70.66 3 4 1 71 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-methyl-4-(4-pyridyl)pyrrolidine-3-carboxylic (3S,4R)-4-methyl-4-(4-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) 0.51 4.16 -50.97 2 4 0 70 206.245 2 ↓
Hi High (pH 8-9.5) 0.51 2.72 -47.75 1 4 -1 65 205.237 2 ↓
Lo Low (pH 4.5-6) 0.51 4.62 -83.8 3 4 1 71 207.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R,3R)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 4-[(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) 2.80 6.83 -41.98 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.80 6.76 -91.36 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S,3R)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 4-[(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) 2.80 6.31 -44.42 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.80 7.19 -91.05 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R,3S)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 4-[(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) 2.80 6.73 -42.99 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.80 6.77 -92.34 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S,3S)-2-isobutyl-3-methyl-pyrrolidin-3-yl]pyridine 4-[(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) 2.80 6.41 -44 2 2 1 29 219.352 3 ↓
Lo Low (pH 4.5-6) 2.80 6.89 -91.58 3 2 2 31 220.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R,3S)-2-isobutylpyrrolidin-3-yl]pyridine 4-[(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) 2.65 6.41 -43.39 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.65 6.45 -92.56 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S,3S)-2-isobutylpyrrolidin-3-yl]pyridine 4-[(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) 2.65 6.2 -44.25 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.65 6.7 -92.18 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R,3R)-2-isobutylpyrrolidin-3-yl]pyridine 4-[(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) 2.65 5.81 -44.15 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.65 6.61 -91.78 3 2 2 31 206.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S,3R)-2-isobutylpyrrolidin-3-yl]pyridine 4-[(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) 2.65 5.99 -44.76 2 2 1 29 205.325 3 ↓
Lo Low (pH 4.5-6) 2.65 6.86 -91.54 3 2 2 31 206.333 3 ↓

Parameters Provided:

ring.id = 260746
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 = 260746 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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