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Analogs

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Popular Name: 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid 5-(2,3-dihydro-1-benzofuran-5-yl…

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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) 2.24 6.54 -47.79 0 4 -1 62 240.238 2 ↓
Lo Low (pH 4.5-6) 2.24 6.99 -47.59 1 4 0 63 241.246 2 ↓

Analogs

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Popular Name: 5-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]pyridine-3-carboxylic 5-[(2R)-2-methyl-2,3-dihydrobenz…

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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) 2.60 7.28 -47.53 0 4 -1 62 254.265 2 ↓
Lo Low (pH 4.5-6) 2.60 7.74 -47.62 1 4 0 63 255.273 2 ↓

Analogs

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Popular Name: 5-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]pyridine-3-carboxylic 5-[(2S)-2-methyl-2,3-dihydrobenz…

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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) 2.60 7.25 -47.81 0 4 -1 62 254.265 2 ↓
Lo Low (pH 4.5-6) 2.60 7.7 -47.69 1 4 0 63 255.273 2 ↓

Analogs

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Popular Name: 5-(2,3-dihydrobenzofuran-5-yl)pyridin-2-amine 5-(2,3-dihydrobenzofuran-5-yl)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) 2.51 4.73 -7.46 2 3 0 48 212.252 1 ↓
Mid Mid (pH 6-8) 2.51 5.21 -35.17 3 3 1 49 213.26 1 ↓

Analogs

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Popular Name: 5-[(2R)-2-methyl-2,3-dihydrobenzofuran-5-yl]pyridin-2-amine 5-[(2R)-2-methyl-2,3-dihydrobenz…

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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) 2.88 5.47 -7.33 2 3 0 48 226.279 1 ↓
Mid Mid (pH 6-8) 2.88 5.94 -35.25 3 3 1 49 227.287 1 ↓

Analogs

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Popular Name: 5-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]pyridin-2-amine 5-[(2S)-2-methyl-2,3-dihydrobenz…

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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) 2.88 5.44 -7.32 2 3 0 48 226.279 1 ↓
Mid Mid (pH 6-8) 2.88 5.92 -34.99 3 3 1 49 227.287 1 ↓

Analogs

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Popular Name: 5-(2,2-dimethyl-3H-benzofuran-5-yl)pyridin-2-amine 5-(2,2-dimethyl-3H-benzofuran-5-…

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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) 3.32 6.12 -7.4 2 3 0 48 240.306 1 ↓
Mid Mid (pH 6-8) 3.32 6.59 -35.08 3 3 1 49 241.314 1 ↓

Parameters Provided:

ring.id = 3636
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 = 3636 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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