UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-(cyclooctylamino)-1-piperidyl]-N,N-dimethyl-acetamide 2-[4-(cyclooctylamino)-1-piperid…

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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 5.73 -40.25 2 4 1 40 296.479 4 ↓
Mid Mid (pH 6-8) 2.34 7.01 -38.58 2 4 1 37 296.479 4 ↓

Analogs

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Popular Name: N-cyclooctyl-1-prop-2-ynyl-piperidin-4-amine N-cyclooctyl-1-prop-2-ynyl-piper…

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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) 3.59 6.56 -37.6 2 2 1 20 249.422 3 ↓

Analogs

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Popular Name: N-cyclooctyl-1-(3-methylbut-2-enyl)piperidin-4-amine N-cyclooctyl-1-(3-methylbut-2-en…

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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) 5.11 8.03 -35.92 2 2 1 20 279.492 4 ↓
Lo Low (pH 4.5-6) 5.11 10.3 -105.3 3 2 2 21 280.5 4 ↓

Analogs

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Popular Name: 4-(cyclooctylamino)piperidine-1-carboxamide 4-(cyclooctylamino)piperidine-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) 2.71 4.15 -48.81 4 4 1 63 254.398 2 ↓

Analogs

42768014
42768014
42768017
42768017

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Popular Name: N-cyclooctyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-cyclooctyl-1-(2,2,2-trifluoroe…

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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) 4.36 6.69 -40.31 2 2 1 20 293.397 4 ↓

Parameters Provided:

ring.id = 546626
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 = 546626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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