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

44513651
44513651

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Popular Name: 3-[(4-methyl-1-piperidyl)methyl]-5-(2-thienyl)isoxazole 3-[(4-methyl-1-piperidyl)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) 3.32 8.9 -38.54 1 3 1 30 263.386 3 ↓
Hi High (pH 8-9.5) 3.32 6.63 -6.5 0 3 0 29 262.378 3 ↓

Analogs

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Popular Name: 1-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperidin-4-amine 1-[[5-(2-thienyl)isoxazol-3-yl]m…

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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) 1.43 3.27 -46.77 3 4 1 57 264.374 3 ↓

Analogs

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Popular Name: 4-methyl-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperidine-4-carboxylic 4-methyl-1-[[5-(2-thienyl)isoxaz…

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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) 2.43 8.93 -64.39 1 5 0 71 306.387 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperidine-3-carboxylic (3S)-3-methyl-1-[[5-(2-thienyl)i…

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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) 2.43 9.11 -50.01 1 5 0 71 306.387 4 ↓
Hi High (pH 8-9.5) 2.43 7.25 -49.25 0 5 -1 69 305.379 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperidine-3-carboxylic (3R)-3-methyl-1-[[5-(2-thienyl)i…

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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) 2.43 9.27 -47.67 1 5 0 71 306.387 4 ↓
Hi High (pH 8-9.5) 2.43 7.39 -47.09 0 5 -1 69 305.379 4 ↓

Analogs

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Popular Name: 2-[1-[[5-(2-thienyl)isoxazol-3-yl]methyl]-4-piperidyl]ethanamine 2-[1-[[5-(2-thienyl)isoxazol-3-y…

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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) 2.20 6.91 -100.27 4 4 2 58 293.436 5 ↓
Hi High (pH 8-9.5) 2.20 4.65 -48.74 3 4 1 57 292.428 5 ↓

Analogs

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Popular Name: N-methyl-2-[1-[[5-(2-thienyl)isoxazol-3-yl]methyl]-4-piperidyl]ethanamine N-methyl-2-[1-[[5-(2-thienyl)iso…

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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) 3.18 8.6 -96.09 3 4 2 47 307.463 6 ↓
Hi High (pH 8-9.5) 3.18 6.36 -44.01 2 4 1 46 306.455 6 ↓

Analogs

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Popular Name: N-methyl-2-[(2S)-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-[[5-(2-thieny…

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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) 3.12 6.78 -40.15 2 4 1 46 306.455 6 ↓
Mid Mid (pH 6-8) 3.12 8.41 -107.68 3 4 2 47 307.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2R)-1-[[5-(2-thienyl)isoxazol-3-yl]methyl]-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-[[5-(2-thieny…

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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) 3.12 6.45 -49.25 2 4 1 46 306.455 6 ↓
Mid Mid (pH 6-8) 3.12 8.61 -111.8 3 4 2 47 307.463 6 ↓

Parameters Provided:

ring.id = 29631
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 = 29631 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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