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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(azepan-1-yl)-1-[(3R)-3-methyl-1-piperidyl]ethanone 2-(azepan-1-yl)-1-[(3R)-3-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) 2.26 8.14 -36.38 1 3 1 25 239.383 2 ↓
Hi High (pH 8-9.5) 2.26 6.24 -6.63 0 3 0 24 238.375 2 ↓

Analogs

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Popular Name: 2-(azepan-1-yl)-1-[(3S)-3-methyl-1-piperidyl]ethanone 2-(azepan-1-yl)-1-[(3S)-3-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) 2.26 8.14 -36.41 1 3 1 25 239.383 2 ↓
Hi High (pH 8-9.5) 2.26 6.24 -6.63 0 3 0 24 238.375 2 ↓

Analogs

11841956
11841956
37820390
37820390
37820391
37820391
37820392
37820392
37820393
37820393

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Popular Name: 1-[2-[(3R)-3-[(dimethylsulfamoylamino)methyl]-1-piperidyl]-2-oxo-ethyl]azepane 1-[2-[(3R)-3-[(dimethylsulfamoyl…

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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) 1.04 -5.72 -44.71 2 7 1 74 361.532 6 ↓

Analogs

37820390
37820390
37820391
37820391
37820392
37820392
37820393
37820393
37820396
37820396

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3S)-3-[(dimethylsulfamoylamino)methyl]-1-piperidyl]-2-oxo-ethyl]azepane 1-[2-[(3S)-3-[(dimethylsulfamoyl…

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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) 1.04 -5.87 -44.4 2 7 1 74 361.532 6 ↓

Analogs

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Popular Name: 2-[(4R)-4-methylazepan-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone 2-[(4R)-4-methylazepan-1-yl]-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) 2.35 8.82 -36.23 1 3 1 25 253.41 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-methylazepan-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone 2-[(4S)-4-methylazepan-1-yl]-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) 2.35 8.74 -36.22 1 3 1 25 253.41 2 ↓

Analogs

52245467
52245467

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Popular Name: piperidine, 1-[(hexahydro-1H-azepin-1-yl)acetyl]-4-methyl- piperidine, 1-[(hexahydro-1H-aze…

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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) 2.26 8.15 -36.38 1 3 1 25 239.383 2 ↓
Hi High (pH 8-9.5) 2.26 6.26 -6.52 0 3 0 24 238.375 2 ↓

Analogs

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Popular Name: 4-piperidinecarboxylic acid, 1-[(hexahydro-1H-azepin-1-yl)acetyl]-, ethyl ester 4-piperidinecarboxylic acid, 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 9.11 -41.41 1 5 1 51 297.419 5 ↓
Hi High (pH 8-9.5) 2.12 7.09 -10.73 0 5 0 50 296.411 5 ↓

Parameters Provided:

ring.id = 28653
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 = 28653 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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