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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: 8-[(2R,3S)-2-methylpyrrolidin-3-yl]quinoline 8-[(2R,3S)-2-methylpyrrolidin-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) 2.11 6.1 -40.49 2 2 1 29 213.304 1 ↓
Lo Low (pH 4.5-6) 2.11 6.43 -88.02 3 2 2 31 214.312 1 ↓

Analogs

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Popular Name: 8-[(2S,3S)-2-methylpyrrolidin-3-yl]quinoline 8-[(2S,3S)-2-methylpyrrolidin-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) 2.11 6.39 -40.48 2 2 1 29 213.304 1 ↓
Lo Low (pH 4.5-6) 2.11 6.73 -87.06 3 2 2 31 214.312 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(2R,3R)-2-methylpyrrolidin-3-yl]quinoline 8-[(2R,3R)-2-methylpyrrolidin-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) 2.11 6.39 -40.43 2 2 1 29 213.304 1 ↓
Lo Low (pH 4.5-6) 2.11 6.73 -87.04 3 2 2 31 214.312 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(2S,3R)-2-methylpyrrolidin-3-yl]quinoline 8-[(2S,3R)-2-methylpyrrolidin-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) 2.11 6.1 -39.68 2 2 1 29 213.304 1 ↓
Lo Low (pH 4.5-6) 2.11 6.43 -88.4 3 2 2 31 214.312 1 ↓

Analogs

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Popular Name: 8-[(2R,3S)-2-ethylpyrrolidin-3-yl]quinoline 8-[(2R,3S)-2-ethylpyrrolidin-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) 2.65 6.99 -40.42 2 2 1 29 227.331 2 ↓
Lo Low (pH 4.5-6) 2.65 7.33 -88.61 3 2 2 31 228.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(2S,3S)-2-ethylpyrrolidin-3-yl]quinoline 8-[(2S,3S)-2-ethylpyrrolidin-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) 2.65 7.24 -39.79 2 2 1 29 227.331 2 ↓
Lo Low (pH 4.5-6) 2.65 7.56 -88.13 3 2 2 31 228.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(2R,3R)-2-ethylpyrrolidin-3-yl]quinoline 8-[(2R,3R)-2-ethylpyrrolidin-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) 2.65 7.2 -39.66 2 2 1 29 227.331 2 ↓
Lo Low (pH 4.5-6) 2.65 7.52 -87.72 3 2 2 31 228.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(2S,3R)-2-ethylpyrrolidin-3-yl]quinoline 8-[(2S,3R)-2-ethylpyrrolidin-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) 2.65 6.99 -40.39 2 2 1 29 227.331 2 ↓
Lo Low (pH 4.5-6) 2.65 7.32 -88.6 3 2 2 31 228.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(3S)-2,2-dimethylpyrrolidin-3-yl]quinoline 8-[(3S)-2,2-dimethylpyrrolidin-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) 2.59 6.63 -39.19 2 2 1 29 227.331 1 ↓
Lo Low (pH 4.5-6) 2.59 6.97 -85.54 3 2 2 31 228.339 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(3R)-2,2-dimethylpyrrolidin-3-yl]quinoline 8-[(3R)-2,2-dimethylpyrrolidin-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) 2.59 6.66 -39.27 2 2 1 29 227.331 1 ↓
Lo Low (pH 4.5-6) 2.59 6.99 -85.49 3 2 2 31 228.339 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(2R,3S)-2-isobutylpyrrolidin-3-yl]quinoline 8-[(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) 3.42 8.72 -40.46 2 2 1 29 255.385 3 ↓
Lo Low (pH 4.5-6) 3.42 9.06 -90.24 3 2 2 31 256.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(2S,3S)-2-isobutylpyrrolidin-3-yl]quinoline 8-[(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) 3.42 8.55 -41.23 2 2 1 29 255.385 3 ↓
Lo Low (pH 4.5-6) 3.42 8.87 -90.76 3 2 2 31 256.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(2R,3R)-2-isobutylpyrrolidin-3-yl]quinoline 8-[(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) 3.42 8.29 -41.12 2 2 1 29 255.385 3 ↓
Lo Low (pH 4.5-6) 3.42 8.61 -89.11 3 2 2 31 256.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(2S,3R)-2-isobutylpyrrolidin-3-yl]quinoline 8-[(2S,3R)-2-isobutylpyrrolidin-…

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Activity (Go SEA)

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) 3.42 8.3 -41.99 2 2 1 29 255.385 3 ↓
Lo Low (pH 4.5-6) 3.42 8.64 -91.06 3 2 2 31 256.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-(8-quinolyl)pyrrolidine-3-carboxylic (3R,4R)-4-(8-quinolyl)pyrrolidin…

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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 6.02 -54.27 2 4 0 70 242.278 2 ↓
Hi High (pH 8-9.5) 1.13 4.56 -51.07 1 4 -1 65 241.27 2 ↓
Lo Low (pH 4.5-6) 1.13 6.34 -74.08 3 4 1 71 243.286 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-(8-quinolyl)pyrrolidine-3-carboxylic (3R,4S)-4-(8-quinolyl)pyrrolidin…

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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 6.22 -57.7 2 4 0 70 242.278 2 ↓
Hi High (pH 8-9.5) 1.13 4.76 -54.31 1 4 -1 65 241.27 2 ↓
Lo Low (pH 4.5-6) 1.13 6.55 -70.25 3 4 1 71 243.286 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-(8-quinolyl)pyrrolidine-3-carboxylic (3S,4R)-4-(8-quinolyl)pyrrolidin…

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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 6.25 -56.26 2 4 0 70 242.278 2 ↓
Hi High (pH 8-9.5) 1.13 4.81 -61.02 1 4 -1 65 241.27 2 ↓
Lo Low (pH 4.5-6) 1.13 6.57 -70.9 3 4 1 71 243.286 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-(8-quinolyl)pyrrolidine-3-carboxylic (3S,4S)-4-(8-quinolyl)pyrrolidin…

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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 6.8 -50.62 2 4 0 70 242.278 2 ↓
Hi High (pH 8-9.5) 1.13 5.35 -49.15 1 4 -1 65 241.27 2 ↓
Lo Low (pH 4.5-6) 1.13 6.34 -74.08 3 4 1 71 243.286 2 ↓

Parameters Provided:

ring.id = 264636
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 = 264636 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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