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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: (3S,5S)-5-(6-quinolyl)pyrrolidin-3-ol (3S,5S)-5-(6-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) 1.15 2.44 -47.17 3 3 1 50 215.276 1 ↓
Hi High (pH 8-9.5) 1.15 1.36 -9.14 2 3 0 45 214.268 1 ↓
Lo Low (pH 4.5-6) 1.15 2.87 -89.19 4 3 2 51 216.284 1 ↓

Analogs

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Popular Name: (3S,5R)-5-(6-quinolyl)pyrrolidin-3-ol (3S,5R)-5-(6-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) 1.15 2.42 -45.99 3 3 1 50 215.276 1 ↓
Hi High (pH 8-9.5) 1.15 1.02 -7.81 2 3 0 45 214.268 1 ↓
Lo Low (pH 4.5-6) 1.15 2.86 -88.8 4 3 2 51 216.284 1 ↓

Analogs

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Popular Name: (3R,5S)-5-(6-quinolyl)pyrrolidin-3-ol (3R,5S)-5-(6-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) 1.15 2.48 -45.23 3 3 1 50 215.276 1 ↓
Hi High (pH 8-9.5) 1.15 1.36 -7.27 2 3 0 45 214.268 1 ↓
Lo Low (pH 4.5-6) 1.15 2.91 -88.02 4 3 2 51 216.284 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-5-(6-quinolyl)pyrrolidin-3-ol (3R,5R)-5-(6-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) 1.15 2.44 -46.58 3 3 1 50 215.276 1 ↓
Hi High (pH 8-9.5) 1.15 1.09 -7.84 2 3 0 45 214.268 1 ↓
Lo Low (pH 4.5-6) 1.15 2.87 -88.77 4 3 2 51 216.284 1 ↓

Analogs

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Popular Name: (2S,3S)-1-methyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3S)-1-methyl-2-(6-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) 0.90 3.47 -42.94 3 3 1 44 228.319 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-methyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3R)-1-methyl-2-(6-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) 0.90 3.31 -52.54 3 3 1 44 228.319 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-ethyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3S)-1-ethyl-2-(6-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) 1.28 4.31 -43.29 3 3 1 44 242.346 2 ↓
Lo Low (pH 4.5-6) 1.28 5.96 -37.28 3 3 1 43 242.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-ethyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3R)-1-ethyl-2-(6-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) 1.28 4.13 -53.18 3 3 1 44 242.346 2 ↓
Lo Low (pH 4.5-6) 1.28 5.66 -37.13 3 3 1 43 242.346 2 ↓

Analogs

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Popular Name: (2S,3S)-1-propyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3S)-1-propyl-2-(6-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) 1.78 5.07 -43.39 3 3 1 44 256.373 3 ↓
Lo Low (pH 4.5-6) 1.78 6.7 -37.73 3 3 1 43 256.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-propyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3R)-1-propyl-2-(6-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) 1.78 4.86 -53.28 3 3 1 44 256.373 3 ↓
Lo Low (pH 4.5-6) 1.78 6.41 -37.66 3 3 1 43 256.373 3 ↓

Analogs

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Popular Name: (2S,3S)-1-isopropyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3S)-1-isopropyl-2-(6-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) 1.57 4.66 -43.43 3 3 1 44 256.373 2 ↓
Lo Low (pH 4.5-6) 1.57 6.26 -36.14 3 3 1 43 256.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-isopropyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3R)-1-isopropyl-2-(6-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) 1.57 4.63 -53.26 3 3 1 44 256.373 2 ↓
Lo Low (pH 4.5-6) 1.57 5.96 -36.08 3 3 1 43 256.373 2 ↓

Analogs

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Popular Name: (2S,3S)-1-tert-butyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3S)-1-tert-butyl-2-(6-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) 2.09 4.98 -45.85 3 3 1 44 270.4 2 ↓
Lo Low (pH 4.5-6) 2.09 6.42 -34.86 3 3 1 43 270.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-tert-butyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3R)-1-tert-butyl-2-(6-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) 2.09 4.69 -54.11 3 3 1 44 270.4 2 ↓
Lo Low (pH 4.5-6) 2.09 6.2 -34.32 3 3 1 43 270.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-isobutyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3S)-1-isobutyl-2-(6-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) 2.02 6.01 -43.7 3 3 1 44 270.4 3 ↓
Lo Low (pH 4.5-6) 2.02 7.39 -37.56 3 3 1 43 270.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-isobutyl-2-(6-quinolyl)pyrrolidin-3-amine (2S,3R)-1-isobutyl-2-(6-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) 2.02 5.81 -53.56 3 3 1 44 270.4 3 ↓
Lo Low (pH 4.5-6) 2.02 7.09 -37.26 3 3 1 43 270.4 3 ↓

Analogs

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Popular Name: (2S,3S)-1-(2-methoxyethyl)-2-(6-quinolyl)pyrrolidin-3-amine (2S,3S)-1-(2-methoxyethyl)-2-(6-…

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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 3.39 -44.89 3 4 1 53 272.372 4 ↓
Lo Low (pH 4.5-6) 0.88 3.83 -90.82 4 4 2 54 273.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-(2-methoxyethyl)-2-(6-quinolyl)pyrrolidin-3-amine (2S,3R)-1-(2-methoxyethyl)-2-(6-…

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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 3.2 -56.14 3 4 1 53 272.372 4 ↓
Lo Low (pH 4.5-6) 0.88 3.63 -94.32 4 4 2 54 273.38 4 ↓

Parameters Provided:

ring.id = 507782
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 = 507782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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