UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39306473
39306473
39308687
39308687
39308688
39308688

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Popular Name: 1-[(6-acetylbenzo[1,3]dioxol-5-yl)carbamoylmethyl]piperidine-4-carboxamide 1-[(6-acetylbenzo[1,3]dioxol-5-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) 0.73 -2.73 -52.19 4 8 1 112 348.379 5 ↓

Analogs

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Popular Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-4-piperidyl]-2,2-dimethyl-propanamide N-[1-[2-(1,3-benzodioxol-5-ylami…

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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) 2.93 5.87 -52.4 3 7 1 81 362.45 5 ↓

Analogs

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Popular Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(3S)-3-hydroxy-1-piperidyl]acetamide N-(2,2-difluoro-1,3-benzodioxol-…

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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) 1.79 2.53 -47.88 3 6 1 72 315.296 3 ↓

Analogs

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Popular Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(3R)-3-hydroxy-1-piperidyl]acetamide N-(2,2-difluoro-1,3-benzodioxol-…

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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) 1.79 2.5 -46.49 3 6 1 72 315.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(3S)-3-hydroxy-1-piperidyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(3S)…

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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) 1.16 2.1 -45.45 3 6 1 72 279.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(3R)-3-hydroxy-1-piperidyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(3R)…

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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) 1.16 2.07 -44.44 3 6 1 72 279.316 3 ↓

Parameters Provided:

ring.id = 27829
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 = 27829 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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