UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44513533
44513533
49431454
49431454
49431459
49431459
49431461
49431461
49431479
49431479

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Popular Name: 1-[[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-amine 1-[[5-(3-thienyl)-1,2,4-oxadiazo…

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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) 0.37 0.55 -47.76 3 5 1 70 265.362 3 ↓

Analogs

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

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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) 1.37 6.34 -60.11 1 6 0 83 307.375 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylic (3S)-3-methyl-1-[[5-(3-thienyl)-…

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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) 1.37 6.52 -45.61 1 6 0 83 307.375 4 ↓
Hi High (pH 8-9.5) 1.37 4.69 -48.38 0 6 -1 82 306.367 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylic (3R)-3-methyl-1-[[5-(3-thienyl)-…

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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) 1.37 6.71 -45.8 1 6 0 83 307.375 4 ↓
Hi High (pH 8-9.5) 1.37 4.85 -48.97 0 6 -1 82 306.367 4 ↓

Analogs

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Popular Name: 2-[1-[[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl]-4-piperidyl]ethanamine 2-[1-[[5-(3-thienyl)-1,2,4-oxadi…

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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) 1.14 4.14 -96.76 4 5 2 71 294.424 5 ↓
Hi High (pH 8-9.5) 1.14 1.93 -49.83 3 5 1 70 293.416 5 ↓

Analogs

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

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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 6.23 -92.82 3 5 2 60 308.451 6 ↓
Hi High (pH 8-9.5) 2.12 3.99 -44.88 2 5 1 59 307.443 6 ↓

Analogs

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Popular Name: N-methyl-2-[(2S)-1-[[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl]-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-[[5-(3-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) 2.06 4.23 -45.37 2 5 1 59 307.443 6 ↓
Mid Mid (pH 6-8) 2.06 5.83 -105.14 3 5 2 60 308.451 6 ↓

Analogs

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Popular Name: N-methyl-2-[(2R)-1-[[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl]-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-[[5-(3-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) 2.06 3.92 -45.45 2 5 1 59 307.443 6 ↓
Mid Mid (pH 6-8) 2.06 6.04 -103.72 3 5 2 60 308.451 6 ↓

Parameters Provided:

ring.id = 110387
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 = 110387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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