UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40465784
40465784
40465786
40465786

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Popular Name: 2-(4-amino-1-piperidyl)-N-[2-(2-thienyl)ethyl]acetamide 2-(4-amino-1-piperidyl)-N-[2-(2-…

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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) 0.92 1.86 -47.67 4 4 1 60 268.406 5 ↓
Lo Low (pH 4.5-6) 0.92 4.04 -109.91 5 4 2 61 269.414 5 ↓

Analogs

44513787
44513787

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Popular Name: 2-[(3R)-3-methyl-1-piperidyl]-N-[2-(2-thienyl)ethyl]acetamide 2-[(3R)-3-methyl-1-piperidyl]-N-…

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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) 2.80 7.38 -39.22 2 3 1 34 267.418 5 ↓
Hi High (pH 8-9.5) 2.80 5.22 -9.25 1 3 0 32 266.41 5 ↓

Analogs

44513787
44513787

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Popular Name: 2-[(3S)-3-methyl-1-piperidyl]-N-[2-(2-thienyl)ethyl]acetamide 2-[(3S)-3-methyl-1-piperidyl]-N-…

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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) 2.80 7.38 -39.23 2 3 1 34 267.418 5 ↓
Hi High (pH 8-9.5) 2.80 5.22 -9.26 1 3 0 32 266.41 5 ↓

Analogs

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Popular Name: (2R)-2-[4-(2-amino-2-oxo-ethyl)-1-piperidyl]-N-[2-(2-thienyl)ethyl]propanamide (2R)-2-[4-(2-amino-2-oxo-ethyl)-…

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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) 1.44 4.59 -39.77 4 5 1 77 324.47 7 ↓
Hi High (pH 8-9.5) 1.44 2.37 -16.08 3 5 0 75 323.462 7 ↓

Analogs

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Popular Name: 4-methyl-1-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]piperidine-4-carboxylic 4-methyl-1-[2-oxo-2-[2-(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) 1.92 7.62 -68.54 2 5 0 74 310.419 6 ↓
Hi High (pH 8-9.5) 1.92 5.46 -58.27 1 5 -1 72 309.411 6 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]piperidine-3-carboxylic (3S)-3-methyl-1-[2-oxo-2-[2-(2-t…

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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) 1.92 7.8 -50.9 2 5 0 74 310.419 6 ↓
Hi High (pH 8-9.5) 1.92 6.02 -49.98 1 5 -1 72 309.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-oxo-2-[2-(2-t…

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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) 1.92 7.77 -50.05 2 5 0 74 310.419 6 ↓
Hi High (pH 8-9.5) 1.92 5.98 -49.51 1 5 -1 72 309.411 6 ↓

Analogs

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Popular Name: 2-[4-(2-aminoethyl)-1-piperidyl]-N-[2-(2-thienyl)ethyl]acetamide 2-[4-(2-aminoethyl)-1-piperidyl]…

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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) 1.68 5.42 -100.07 5 4 2 61 297.468 7 ↓
Hi High (pH 8-9.5) 1.68 3.25 -50.46 4 4 1 60 296.46 7 ↓

Analogs

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Popular Name: 2-[4-[2-(methylamino)ethyl]-1-piperidyl]-N-[2-(2-thienyl)ethyl]acetamide 2-[4-[2-(methylamino)ethyl]-1-pi…

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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) 2.66 7.29 -96.06 4 4 2 50 311.495 8 ↓
Hi High (pH 8-9.5) 2.66 5.12 -45.74 3 4 1 49 310.487 8 ↓

Analogs

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Popular Name: 2-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]-N-[2-(2-thienyl)ethyl]acetamide 2-[(2S)-2-[2-(methylamino)ethyl]…

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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 5.67 -46.86 3 4 1 49 310.487 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]-N-[2-(2-thienyl)ethyl]acetamide 2-[(2R)-2-[2-(methylamino)ethyl]…

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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 5.08 -51.89 3 4 1 49 310.487 8 ↓

Parameters Provided:

ring.id = 110511
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 = 110511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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