UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide N-[2-(cyclopropanecarbonylamino)…

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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) -0.43 0.23 -21.92 2 7 0 96 317.411 6 ↓

Analogs

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Popular Name: 1-butanoyl-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-4-carboxamide 1-butanoyl-N-[2-(cyclopropanecar…

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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) 0.96 4.17 -17.1 2 6 0 79 309.41 7 ↓

Analogs

37822755
37822755

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-1-prop-2-ynyl-piperidine-4-carboxamide N-[2-(cyclopropanecarbonylamino)…

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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) 0.36 2.54 -13.36 2 5 0 61 277.368 6 ↓
Mid Mid (pH 6-8) 0.36 4.82 -47.37 3 5 1 63 278.376 6 ↓
Lo Low (pH 4.5-6) 0.73 -0.56 -40.15 3 5 1 70 278.376 6 ↓

Analogs

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Popular Name: N4-[2-(cyclopropanecarbonylamino)ethyl]-N1,N1-diethyl-piperidine-1,4-dicarboxamide N4-[2-(cyclopropanecarbonylamino…

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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) 0.84 4.72 -20.87 2 7 0 82 338.452 7 ↓

Parameters Provided:

ring.id = 155532
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 = 155532 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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