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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: (3S,5S)-5-(8-quinolyl)pyrrolidin-3-ol (3S,5S)-5-(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) 1.12 2.63 -40.1 3 3 1 50 215.276 1 ↓
Hi High (pH 8-9.5) 1.12 1.71 -8.02 2 3 0 45 214.268 1 ↓
Lo Low (pH 4.5-6) 1.12 2.96 -95.34 4 3 2 51 216.284 1 ↓

Analogs

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Popular Name: (3S,5R)-5-(8-quinolyl)pyrrolidin-3-ol (3S,5R)-5-(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) 1.12 2.62 -40.7 3 3 1 50 215.276 1 ↓
Hi High (pH 8-9.5) 1.12 1.22 -9.46 2 3 0 45 214.268 1 ↓
Lo Low (pH 4.5-6) 1.12 2.96 -93.37 4 3 2 51 216.284 1 ↓

Analogs

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Popular Name: (3R,5S)-5-(8-quinolyl)pyrrolidin-3-ol (3R,5S)-5-(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) 1.12 2.67 -40.57 3 3 1 50 215.276 1 ↓
Hi High (pH 8-9.5) 1.12 1.7 -8.13 2 3 0 45 214.268 1 ↓
Lo Low (pH 4.5-6) 1.12 3 -91.92 4 3 2 51 216.284 1 ↓

Analogs

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Popular Name: (3R,5R)-5-(8-quinolyl)pyrrolidin-3-ol (3R,5R)-5-(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) 1.12 2.62 -39.32 3 3 1 50 215.276 1 ↓
Hi High (pH 8-9.5) 1.12 1.28 -8.17 2 3 0 45 214.268 1 ↓
Lo Low (pH 4.5-6) 1.12 2.96 -95 4 3 2 51 216.284 1 ↓

Analogs

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Popular Name: (2S,3S)-1-methyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3S)-1-methyl-2-(8-quinolyl)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) 0.88 3.86 -33.45 3 3 1 44 228.319 1 ↓

Analogs

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Popular Name: (2S,3R)-1-methyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3R)-1-methyl-2-(8-quinolyl)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) 0.88 4.12 -37.14 3 3 1 44 228.319 1 ↓

Analogs

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Popular Name: (2S,3S)-1-ethyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3S)-1-ethyl-2-(8-quinolyl)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) 1.25 4.69 -33.46 3 3 1 44 242.346 2 ↓
Lo Low (pH 4.5-6) 1.25 6.04 -29.44 3 3 1 43 242.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-ethyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3R)-1-ethyl-2-(8-quinolyl)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) 1.25 4.93 -37.32 3 3 1 44 242.346 2 ↓
Lo Low (pH 4.5-6) 1.25 5.86 -32.05 3 3 1 43 242.346 2 ↓

Analogs

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Popular Name: (2S,3S)-1-propyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3S)-1-propyl-2-(8-quinolyl)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) 1.75 5.44 -33.55 3 3 1 44 256.373 3 ↓
Lo Low (pH 4.5-6) 1.75 6.79 -29.87 3 3 1 43 256.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-propyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3R)-1-propyl-2-(8-quinolyl)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) 1.75 5.67 -37.44 3 3 1 44 256.373 3 ↓
Lo Low (pH 4.5-6) 1.75 6.61 -32.52 3 3 1 43 256.373 3 ↓

Analogs

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Popular Name: (2S,3S)-1-isopropyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3S)-1-isopropyl-2-(8-quinoly…

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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) 1.55 5.02 -33.43 3 3 1 44 256.373 2 ↓
Lo Low (pH 4.5-6) 1.55 6.37 -28.68 3 3 1 43 256.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-isopropyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3R)-1-isopropyl-2-(8-quinoly…

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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) 1.55 5.44 -37.29 3 3 1 44 256.373 2 ↓
Lo Low (pH 4.5-6) 1.55 6.19 -31.32 3 3 1 43 256.373 2 ↓

Analogs

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Popular Name: (2S,3S)-1-tert-butyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3S)-1-tert-butyl-2-(8-quinol…

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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) 2.06 5.74 -33.27 3 3 1 44 270.4 2 ↓
Lo Low (pH 4.5-6) 2.06 6.86 -28.51 3 3 1 43 270.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-tert-butyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3R)-1-tert-butyl-2-(8-quinol…

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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) 2.06 5.15 -39.33 3 3 1 44 270.4 2 ↓
Lo Low (pH 4.5-6) 2.06 6.4 -30.17 3 3 1 43 270.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-isobutyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3S)-1-isobutyl-2-(8-quinolyl…

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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) 2.00 6.37 -33.83 3 3 1 44 270.4 3 ↓
Lo Low (pH 4.5-6) 2.00 7.46 -29.25 3 3 1 43 270.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-isobutyl-2-(8-quinolyl)pyrrolidin-3-amine (2S,3R)-1-isobutyl-2-(8-quinolyl…

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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) 2.00 6.65 -37.54 3 3 1 44 270.4 3 ↓
Lo Low (pH 4.5-6) 2.00 7.28 -31.75 3 3 1 43 270.4 3 ↓

Analogs

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Popular Name: (2S,3S)-1-(2-methoxyethyl)-2-(8-quinolyl)pyrrolidin-3-amine (2S,3S)-1-(2-methoxyethyl)-2-(8-…

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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) 0.86 3.76 -34.14 3 4 1 53 272.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-(2-methoxyethyl)-2-(8-quinolyl)pyrrolidin-3-amine (2S,3R)-1-(2-methoxyethyl)-2-(8-…

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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) 0.86 4 -39.83 3 4 1 53 272.372 4 ↓

Parameters Provided:

ring.id = 507667
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 = 507667 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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