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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

11838876
11838876

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Popular Name: N-[[(2S)-4-fluoro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-butanamide N-[[(2S)-4-fluoro-7-(4-pyridyl)-…

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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) 3.31 -0.44 -10.86 1 4 0 51 328.387 5 ↓
Lo Low (pH 4.5-6) 3.31 -0.33 -43.53 2 4 1 52 329.395 5 ↓

Analogs

11838874
11838874

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Popular Name: N-[[(2R)-4-fluoro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-butanamide N-[[(2R)-4-fluoro-7-(4-pyridyl)-…

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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) 3.31 -0.39 -9.95 1 4 0 51 328.387 5 ↓
Lo Low (pH 4.5-6) 3.31 -0.28 -43.1 2 4 1 52 329.395 5 ↓

Analogs

11840226
11840226

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Popular Name: N-[[(2R)-4-fluoro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]pent-4-enamide N-[[(2R)-4-fluoro-7-(4-pyridyl)-…

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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) 3.08 -0.24 -10.36 1 4 0 51 326.371 6 ↓
Lo Low (pH 4.5-6) 3.08 -0.13 -43.18 2 4 1 52 327.379 6 ↓

Analogs

11840223
11840223

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Popular Name: N-[[(2S)-4-fluoro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]pent-4-enamide N-[[(2S)-4-fluoro-7-(4-pyridyl)-…

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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) 3.08 -0.3 -11.22 1 4 0 51 326.371 6 ↓
Lo Low (pH 4.5-6) 3.08 -0.19 -44.02 2 4 1 52 327.379 6 ↓

Analogs

11841356
11841356

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Popular Name: (E)-N-[[(2S)-5-chloro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-pent-2-enamide (E)-N-[[(2S)-5-chloro-7-(4-pyrid…

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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) 3.33 -1.09 -10.77 1 4 0 51 356.853 5 ↓
Lo Low (pH 4.5-6) 3.33 -0.98 -41.56 2 4 1 52 357.861 5 ↓

Analogs

11841355
11841355

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Popular Name: (E)-N-[[(2R)-5-chloro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-pent-2-enamide (E)-N-[[(2R)-5-chloro-7-(4-pyrid…

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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) 3.33 -1.08 -9.86 1 4 0 51 356.853 5 ↓
Lo Low (pH 4.5-6) 3.33 -0.97 -40.64 2 4 1 52 357.861 5 ↓

Analogs

12040565
12040565

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Popular Name: methyl methyl

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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) 1.63 -0.69 -12.61 1 6 0 78 340.379 7 ↓

Analogs

12040560
12040560

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Popular Name: methyl methyl

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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) 1.63 -0.64 -11.88 1 6 0 78 340.379 7 ↓

Analogs

12217176
12217176

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Popular Name: N-[[(2S)-4-fluoro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-acetamide N-[[(2S)-4-fluoro-7-(4-pyridyl)-…

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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) 2.18 -1.31 -13.74 1 4 0 51 332.4 5 ↓
Lo Low (pH 4.5-6) 2.18 -1.19 -46.77 2 4 1 52 333.408 5 ↓

Analogs

12217175
12217175

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Popular Name: N-[[(2R)-4-fluoro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-acetamide N-[[(2R)-4-fluoro-7-(4-pyridyl)-…

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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) 2.18 -1.25 -12.61 1 4 0 51 332.4 5 ↓
Lo Low (pH 4.5-6) 2.18 -1.14 -46.22 2 4 1 52 333.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-7-(2,6-dimethyl-4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2S)-7-(2,6-dimethyl-4-pyridyl)…

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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) 2.12 5.66 -48.68 3 3 1 50 255.341 2 ↓
Hi High (pH 8-9.5) 2.12 5.24 -8.72 2 3 0 48 254.333 2 ↓
Mid Mid (pH 6-8) 2.12 6.06 -89.29 4 3 2 51 256.349 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-7-(2,6-dimethyl-4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2R)-7-(2,6-dimethyl-4-pyridyl)…

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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) 2.12 5.69 -48.14 3 3 1 50 255.341 2 ↓
Hi High (pH 8-9.5) 2.12 5.31 -7.34 2 3 0 48 254.333 2 ↓
Mid Mid (pH 6-8) 2.12 6.09 -88.94 4 3 2 51 256.349 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-7-(2-methyl-4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2S)-7-(2-methyl-4-pyridyl)-2,3…

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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) 1.68 5.04 -48.11 3 3 1 50 241.314 2 ↓
Hi High (pH 8-9.5) 1.68 4.62 -8.21 2 3 0 48 240.306 2 ↓
Lo Low (pH 4.5-6) 1.68 5.48 -92.57 4 3 2 51 242.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-7-(2-methyl-4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2R)-7-(2-methyl-4-pyridyl)-2,3…

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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) 1.68 5.07 -47.57 3 3 1 50 241.314 2 ↓
Hi High (pH 8-9.5) 1.68 4.69 -6.97 2 3 0 48 240.306 2 ↓
Lo Low (pH 4.5-6) 1.68 5.51 -92.23 4 3 2 51 242.322 2 ↓

Parameters Provided:

ring.id = 57937
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 = 57937 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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