UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-methyl-N-(4-pyrazol-1-ylphenyl)piperidin-4-amine 1-methyl-N-(4-pyrazol-1-ylphenyl…

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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 7.72 -42.49 2 4 1 34 257.361 3 ↓

Analogs

45652826
45652826

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Popular Name: 1-isopropyl-N-(4-pyrazol-1-ylphenyl)piperidin-4-amine 1-isopropyl-N-(4-pyrazol-1-ylphe…

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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) 3.28 8.91 -40.11 2 4 1 34 285.415 4 ↓

Analogs

45652826
45652826

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Popular Name: 1-ethyl-N-(4-pyrazol-1-ylphenyl)piperidin-4-amine 1-ethyl-N-(4-pyrazol-1-ylphenyl)…

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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 8.38 -41.35 2 4 1 34 271.388 4 ↓

Analogs

23367631
23367631
23153246
23153246

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Popular Name: 1-propyl-N-(4-pyrazol-1-ylphenyl)piperidin-4-amine 1-propyl-N-(4-pyrazol-1-ylphenyl…

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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) 3.48 9.12 -42.1 2 4 1 34 285.415 5 ↓

Analogs

23367631
23367631

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Popular Name: (2R,4S,5R)-1,2,5-trimethyl-N-(4-pyrazol-1-ylphenyl)piperidin-4-amine (2R,4S,5R)-1,2,5-trimethyl-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) 3.41 8.89 -40.47 2 4 1 34 285.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S,5R)-1,2,5-trimethyl-N-(4-pyrazol-1-ylphenyl)piperidin-4-amine (2S,4S,5R)-1,2,5-trimethyl-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) 3.41 9.23 -42.13 2 4 1 34 285.415 3 ↓

Analogs

23367631
23367631

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R,5R)-1,2,5-trimethyl-N-(4-pyrazol-1-ylphenyl)piperidin-4-amine (2R,4R,5R)-1,2,5-trimethyl-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) 3.41 8.61 -41.65 2 4 1 34 285.415 3 ↓

Analogs

23367631
23367631

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R,5R)-1,2,5-trimethyl-N-(4-pyrazol-1-ylphenyl)piperidin-4-amine (2S,4R,5R)-1,2,5-trimethyl-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) 3.41 8.91 -41.23 2 4 1 34 285.415 3 ↓

Analogs

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Popular Name: 1-[4-(4-pyrazol-1-ylanilino)-1-piperidyl]ethanone 1-[4-(4-pyrazol-1-ylanilino)-1-p…

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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) 1.97 6.65 -13.12 1 5 0 50 284.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-prop-2-ynyl-N-(4-pyrazol-1-ylphenyl)piperidin-4-amine 1-prop-2-ynyl-N-(4-pyrazol-1-ylp…

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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) 2.77 8.92 -43.35 2 4 1 34 281.383 4 ↓
Mid Mid (pH 6-8) 2.77 6.64 -8.38 1 4 0 33 280.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-pyrazol-1-ylanilino)piperidine-1-carboxamide 4-(4-pyrazol-1-ylanilino)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) 1.88 4.12 -15.22 3 6 0 76 285.351 3 ↓

Parameters Provided:

ring.id = 129677
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 = 129677 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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