UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N1-[(4R)-thiochroman-4-yl]piperidine-1,4-dicarboxamide N1-[(4R)-thiochroman-4-yl]piperi…

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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) 1.25 4.26 -17.09 3 5 0 75 319.43 2 ↓

Analogs

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Popular Name: N1-[(4S)-thiochroman-4-yl]piperidine-1,4-dicarboxamide N1-[(4S)-thiochroman-4-yl]piperi…

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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) 1.25 4.19 -15.39 3 5 0 75 319.43 2 ↓

Analogs

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Popular Name: 4-(2-amino-2-oxo-ethyl)-N-[(4R)-thiochroman-4-yl]piperidine-1-carboxamide 4-(2-amino-2-oxo-ethyl)-N-[(4R)-…

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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) 1.70 4.96 -13.26 3 5 0 75 333.457 3 ↓

Analogs

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Popular Name: 4-(2-amino-2-oxo-ethyl)-N-[(4S)-thiochroman-4-yl]piperidine-1-carboxamide 4-(2-amino-2-oxo-ethyl)-N-[(4S)-…

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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) 1.70 4.91 -15.43 3 5 0 75 333.457 3 ↓

Analogs

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Popular Name: N-[(4R)-6-chlorothiochroman-4-yl]-4-hydroxy-piperidine-1-carboxamide N-[(4R)-6-chlorothiochroman-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) 1.42 4.8 -10.61 2 4 0 53 326.849 1 ↓

Analogs

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Popular Name: N-[(4S)-6-chlorothiochroman-4-yl]-4-hydroxy-piperidine-1-carboxamide N-[(4S)-6-chlorothiochroman-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) 1.42 4.7 -11.35 2 4 0 53 326.849 1 ↓

Parameters Provided:

ring.id = 67359
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 = 67359 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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