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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: [5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)isoxazol-3-yl]methanamine [5-(6,7-dihydro-4H-thieno[3,2-c]…

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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 2.6 -49.8 3 4 1 57 250.347 3 ↓
Hi High (pH 8-9.5) 1.15 2.2 -9.45 2 4 0 55 249.339 3 ↓

Analogs

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Popular Name: N-methyl-1-[5-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]isoxazol-3-yl]methanam N-methyl-1-[5-[[(4R)-4-methyl-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) 2.09 4.92 -46.05 2 4 1 46 278.401 4 ↓
Hi High (pH 8-9.5) 2.09 3.47 -8.69 1 4 0 41 277.393 4 ↓

Analogs

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Popular Name: N-methyl-1-[5-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]isoxazol-3-yl]methanam N-methyl-1-[5-[[(4S)-4-methyl-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) 2.09 5 -43.45 2 4 1 46 278.401 4 ↓
Hi High (pH 8-9.5) 2.09 3.54 -7.34 1 4 0 41 277.393 4 ↓

Analogs

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Popular Name: N-[[5-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]isoxazol-3-yl]methyl]propan-2- N-[[5-[[(4R)-4-methyl-6,7-dihydr…

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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) 2.76 6.29 -43.17 2 4 1 46 306.455 5 ↓
Hi High (pH 8-9.5) 2.76 5.1 -8.24 1 4 0 41 305.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]isoxazol-3-yl]methyl]propan-2- N-[[5-[[(4S)-4-methyl-6,7-dihydr…

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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) 2.76 6.38 -40.5 2 4 1 46 306.455 5 ↓
Hi High (pH 8-9.5) 2.76 5.18 -6.9 1 4 0 41 305.447 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]isoxazol-3-yl]methanamine [5-[[(4R)-4-methyl-6,7-dihydro-4…

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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) 1.71 3.05 -51.73 3 4 1 57 264.374 3 ↓
Hi High (pH 8-9.5) 1.71 2.64 -7.77 2 4 0 55 263.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]isoxazol-3-yl]methanamine [5-[[(4S)-4-methyl-6,7-dihydro-4…

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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) 1.71 3.12 -49.03 3 4 1 57 264.374 3 ↓
Hi High (pH 8-9.5) 1.71 2.72 -6.65 2 4 0 55 263.366 3 ↓

Parameters Provided:

ring.id = 228385
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 = 228385 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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