UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

52273513
52273513
52273515
52273515
52273518
52273518
52273519
52273519

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Popular Name: ethyl ethyl

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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) 1.75 6.87 -37.56 2 5 1 46 296.435 5 ↓
Mid Mid (pH 6-8) 1.75 5.69 -47.38 2 5 1 49 296.435 5 ↓
Lo Low (pH 4.5-6) 1.75 7.89 -114.7 3 5 2 51 297.443 5 ↓

Analogs

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Popular Name: N-(1-cyclopropyl-4-piperidyl)-1-prop-2-ynyl-piperidin-4-amine N-(1-cyclopropyl-4-piperidyl)-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) 1.46 7.05 -105.24 3 3 2 24 263.429 4 ↓
Mid Mid (pH 6-8) 1.46 4.84 -39.11 2 3 1 23 262.421 4 ↓
Mid Mid (pH 6-8) 1.46 6.05 -32.52 2 3 1 20 262.421 4 ↓

Analogs

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Popular Name: N-(1-cyclopropyl-4-piperidyl)-1-(3-methylbut-2-enyl)piperidin-4-amine N-(1-cyclopropyl-4-piperidyl)-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) 2.98 9.78 -77.4 3 3 2 21 293.499 5 ↓

Analogs

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Popular Name: 4-[(1-cyclopropyl-4-piperidyl)amino]piperidine-1-carboxamide 4-[(1-cyclopropyl-4-piperidyl)am…

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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) 0.58 3.52 -39.39 4 5 1 63 267.397 3 ↓
Mid Mid (pH 6-8) 0.58 2.17 -49.18 4 5 1 66 267.397 3 ↓
Lo Low (pH 4.5-6) 0.58 4.55 -117.05 5 5 2 67 268.405 3 ↓

Analogs

42781948
42781948
42781955
42781955
42781956
42781956
42781965
42781965
43982778
43982778

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Popular Name: 1-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)-4-piperidyl]piperidin-4-amine 1-cyclopropyl-N-[1-(2,2,2-triflu…

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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) 2.23 6.07 -32.77 2 3 1 20 306.396 5 ↓
Mid Mid (pH 6-8) 2.23 4.72 -41.07 2 3 1 23 306.396 5 ↓
Mid Mid (pH 6-8) 2.23 8.19 -82.6 3 3 2 21 307.404 5 ↓

Parameters Provided:

ring.id = 563932
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 = 563932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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