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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45654226
45654226
45654228
45654228

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-(3-pyrrol-1-ylphenyl)piperidin-4-amine 1-methyl-N-(3-pyrrol-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) 3.33 9.31 -41.01 2 3 1 21 256.373 3 ↓

Analogs

45654226
45654226
45654228
45654228

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-N-(3-pyrrol-1-ylphenyl)piperidin-4-amine 1-isopropyl-N-(3-pyrrol-1-ylphen…

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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) 4.00 10.49 -38.74 2 3 1 21 284.427 4 ↓

Analogs

45654226
45654226
45654228
45654228

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-(3-pyrrol-1-ylphenyl)piperidin-4-amine 1-ethyl-N-(3-pyrrol-1-ylphenyl)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) 3.70 9.97 -39.99 2 3 1 21 270.4 4 ↓

Analogs

45654226
45654226
45654228
45654228

Draw Identity 99% 90% 80% 70%

Popular Name: 1-propyl-N-(3-pyrrol-1-ylphenyl)piperidin-4-amine 1-propyl-N-(3-pyrrol-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) 4.21 10.71 -40.84 2 3 1 21 284.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S,5R)-1,2,5-trimethyl-N-(3-pyrrol-1-ylphenyl)piperidin-4-amine (2R,4S,5R)-1,2,5-trimethyl-N-(3-…

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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) 4.13 10.48 -39.2 2 3 1 21 284.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S,5R)-1,2,5-trimethyl-N-(3-pyrrol-1-ylphenyl)piperidin-4-amine (2S,4S,5R)-1,2,5-trimethyl-N-(3-…

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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) 4.13 10.82 -39.17 2 3 1 21 284.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R,5R)-1,2,5-trimethyl-N-(3-pyrrol-1-ylphenyl)piperidin-4-amine (2R,4R,5R)-1,2,5-trimethyl-N-(3-…

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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) 4.13 10.2 -40.03 2 3 1 21 284.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R,5R)-1,2,5-trimethyl-N-(3-pyrrol-1-ylphenyl)piperidin-4-amine (2S,4R,5R)-1,2,5-trimethyl-N-(3-…

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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) 4.13 10.51 -39.78 2 3 1 21 284.427 3 ↓

Analogs

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Popular Name: 1-[4-(3-pyrrol-1-ylanilino)-1-piperidyl]ethanone 1-[4-(3-pyrrol-1-ylanilino)-1-pi…

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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) 2.69 8.29 -11.9 1 4 0 37 283.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-prop-2-ynyl-N-(3-pyrrol-1-ylphenyl)piperidin-4-amine 1-prop-2-ynyl-N-(3-pyrrol-1-ylph…

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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) 3.49 10.51 -42.31 2 3 1 21 280.395 4 ↓
Mid Mid (pH 6-8) 3.49 8.23 -5.8 1 3 0 20 279.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-pyrrol-1-ylanilino)piperidine-1-carboxamide 4-(3-pyrrol-1-ylanilino)piperidi…

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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) 2.60 5.71 -12.43 3 5 0 63 284.363 3 ↓

Parameters Provided:

ring.id = 149284
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 = 149284 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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