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

Analogs

14230015
14230015
14244500
14244500
14244501
14244501
13000799
13000799
13000801
13000801

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Popular Name: 1-(benzenesulfonyl)-N-[(4R)-6-fluorothiochroman-4-yl]piperidine-4-carboxamide 1-(benzenesulfonyl)-N-[(4R)-6-fl…

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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) 2.47 7.92 -16.59 1 5 0 66 434.558 4 ↓

Analogs

14244500
14244500
14244501
14244501
13000799
13000799
13000801
13000801

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Popular Name: 1-(benzenesulfonyl)-N-[(4S)-6-fluorothiochroman-4-yl]piperidine-4-carboxamide 1-(benzenesulfonyl)-N-[(4S)-6-fl…

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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) 2.47 7.92 -16.52 1 5 0 66 434.558 4 ↓

Analogs

14241506
14241506

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Popular Name: 1-(3-acetylphenyl)sulfonyl-N-[(4R)-6-fluorothiochroman-4-yl]piperidine-4-carboxamide 1-(3-acetylphenyl)sulfonyl-N-[(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) 2.34 8.38 -20.51 1 6 0 84 476.595 5 ↓

Analogs

14241505
14241505

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Popular Name: 1-(3-acetylphenyl)sulfonyl-N-[(4S)-6-fluorothiochroman-4-yl]piperidine-4-carboxamide 1-(3-acetylphenyl)sulfonyl-N-[(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) 2.34 8.31 -22.37 1 6 0 84 476.595 5 ↓

Analogs

14242103
14242103

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Popular Name: 1-(4-fluorophenyl)sulfonyl-N-[(4R)-8-fluorothiochroman-4-yl]piperidine-4-carboxamide 1-(4-fluorophenyl)sulfonyl-N-[(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) 2.61 7.98 -16.68 1 5 0 66 452.548 4 ↓

Analogs

14242102
14242102

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)sulfonyl-N-[(4S)-8-fluorothiochroman-4-yl]piperidine-4-carboxamide 1-(4-fluorophenyl)sulfonyl-N-[(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) 2.61 8.03 -17.95 1 5 0 66 452.548 4 ↓

Analogs

14242531
14242531

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Popular Name: 1-(benzenesulfonyl)-N-[(4R)-6-chlorothiochroman-4-yl]piperidine-4-carboxamide 1-(benzenesulfonyl)-N-[(4R)-6-ch…

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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) 2.98 8.37 -15.81 1 5 0 66 451.013 4 ↓

Analogs

14242530
14242530

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(benzenesulfonyl)-N-[(4S)-6-chlorothiochroman-4-yl]piperidine-4-carboxamide 1-(benzenesulfonyl)-N-[(4S)-6-ch…

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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) 2.98 8.37 -15.48 1 5 0 66 451.013 4 ↓

Analogs

14244111
14244111

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Popular Name: 1-(3,4-difluorophenyl)sulfonyl-N-[(4R)-6-fluorothiochroman-4-yl]piperidine-4-carboxamide 1-(3,4-difluorophenyl)sulfonyl-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) 2.72 8.04 -16.19 1 5 0 66 470.538 4 ↓

Analogs

14244110
14244110

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)sulfonyl-N-[(4S)-6-fluorothiochroman-4-yl]piperidine-4-carboxamide 1-(3,4-difluorophenyl)sulfonyl-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) 2.72 8.04 -17.16 1 5 0 66 470.538 4 ↓

Analogs

14244501
14244501
14230012
14230012
14230015
14230015

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Popular Name: N-[(4R)-6-fluorothiochroman-4-yl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide N-[(4R)-6-fluorothiochroman-4-yl…

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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) 2.92 8.6 -16.55 1 5 0 66 448.585 4 ↓

Analogs

14230012
14230012
14230015
14230015

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-6-fluorothiochroman-4-yl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide N-[(4S)-6-fluorothiochroman-4-yl…

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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) 2.92 8.6 -16.46 1 5 0 66 448.585 4 ↓

Parameters Provided:

ring.id = 233686
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 = 233686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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