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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: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-methyl-pyrrolidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 0.94 2.93 -40.01 3 3 1 40 219.308 1 ↓

Analogs

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Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-methyl-pyrrolidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 0.94 2.78 -48.45 3 3 1 40 219.308 1 ↓

Analogs

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Popular Name: (3S,5S)-5-(2,3-dihydrobenzofuran-5-yl)pyrrolidin-3-ol (3S,5S)-5-(2,3-dihydrobenzofuran…

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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) 1.19 1.92 -43.92 3 3 1 46 206.265 1 ↓

Analogs

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Popular Name: (3S,5R)-5-(2,3-dihydrobenzofuran-5-yl)pyrrolidin-3-ol (3S,5R)-5-(2,3-dihydrobenzofuran…

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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) 1.19 1.89 -43.22 3 3 1 46 206.265 1 ↓

Analogs

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Popular Name: (3R,5S)-5-(2,3-dihydrobenzofuran-5-yl)pyrrolidin-3-ol (3R,5S)-5-(2,3-dihydrobenzofuran…

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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) 1.19 1.95 -42.33 3 3 1 46 206.265 1 ↓

Analogs

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Popular Name: (3R,5R)-5-(2,3-dihydrobenzofuran-5-yl)pyrrolidin-3-ol (3R,5R)-5-(2,3-dihydrobenzofuran…

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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) 1.19 1.92 -43.48 3 3 1 46 206.265 1 ↓

Analogs

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Popular Name: 5-((2S)PYRROLIDIN-2-YL)-2,3-DIHYDROBENZO[B]FURAN 5-((2S)PYRROLIDIN-2-YL)-2,3-DIHY…

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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 5.3 -39.79 2 2 1 26 190.266 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-ethyl-pyrrolidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 1.32 3.77 -40.22 3 3 1 40 233.335 2 ↓
Lo Low (pH 4.5-6) 1.32 5.44 -34.03 3 3 1 40 233.335 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-ethyl-pyrrolidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 1.32 3.58 -48.94 3 3 1 40 233.335 2 ↓
Lo Low (pH 4.5-6) 1.32 5.15 -34.58 3 3 1 40 233.335 2 ↓

Analogs

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Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-propyl-pyrrolidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 1.82 4.52 -40.35 3 3 1 40 247.362 3 ↓
Lo Low (pH 4.5-6) 1.82 6.18 -34.48 3 3 1 40 247.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-propyl-pyrrolidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 1.82 4.32 -49.07 3 3 1 40 247.362 3 ↓
Lo Low (pH 4.5-6) 1.82 5.89 -35.06 3 3 1 40 247.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-isopropyl-pyrrolidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 1.62 4.11 -40.32 3 3 1 40 247.362 2 ↓
Lo Low (pH 4.5-6) 1.62 5.73 -32.98 3 3 1 40 247.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-isopropyl-pyrrolidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 1.62 4.09 -49.12 3 3 1 40 247.362 2 ↓
Lo Low (pH 4.5-6) 1.62 5.46 -33.54 3 3 1 40 247.362 2 ↓

Analogs

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Popular Name: (2S,3S)-1-tert-butyl-2-(2,3-dihydrobenzofuran-5-yl)pyrrolidin-3-amine (2S,3S)-1-tert-butyl-2-(2,3-dihy…

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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) 2.13 4.46 -42.36 3 3 1 40 261.389 2 ↓
Lo Low (pH 4.5-6) 2.13 5.91 -32.04 3 3 1 40 261.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-tert-butyl-2-(2,3-dihydrobenzofuran-5-yl)pyrrolidin-3-amine (2S,3R)-1-tert-butyl-2-(2,3-dihy…

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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) 2.13 4.17 -50.08 3 3 1 40 261.389 2 ↓
Lo Low (pH 4.5-6) 2.13 5.69 -31.96 3 3 1 40 261.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-pyrrolidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 2.07 5.5 -40.64 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 2.07 7.06 -114.18 4 3 2 41 262.397 3 ↓
Lo Low (pH 4.5-6) 2.07 6.85 -34.28 3 3 1 40 261.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-pyrrolidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 2.07 5.31 -49.33 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 2.07 6.75 -121.16 4 3 2 41 262.397 3 ↓
Lo Low (pH 4.5-6) 2.07 6.57 -34.67 3 3 1 40 261.389 3 ↓

Analogs

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Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 0.93 2.85 -41.69 3 4 1 49 263.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 0.93 2.65 -51.78 3 4 1 49 263.361 4 ↓

Parameters Provided:

ring.id = 462164
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 = 462164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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