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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine 1-methyl-N-(3-pyrrolidin-1-ylpro…

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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) 1.22 6.5 -78.52 3 3 2 21 227.396 5 ↓

Analogs

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Popular Name: 1-isopropyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine 1-isopropyl-N-(3-pyrrolidin-1-yl…

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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) 1.89 7.48 -77.45 3 3 2 21 255.45 6 ↓

Analogs

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Popular Name: 1-ethyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine 1-ethyl-N-(3-pyrrolidin-1-ylprop…

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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) 1.60 7.09 -77.85 3 3 2 21 241.423 6 ↓

Analogs

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Popular Name: 1-propyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine 1-propyl-N-(3-pyrrolidin-1-ylpro…

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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) 2.10 7.82 -78.97 3 3 2 21 255.45 7 ↓

Analogs

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Popular Name: 1-[4-[[(2S)-2-methyl-3-pyrrolidin-1-yl-propyl]amino]-1-piperidyl]ethanone 1-[4-[[(2S)-2-methyl-3-pyrrolidi…

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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) 1.06 7.33 -114.97 3 4 2 41 269.433 5 ↓
Hi High (pH 8-9.5) 1.06 6.31 -40.3 2 4 1 37 268.425 5 ↓
Mid Mid (pH 6-8) 1.06 5.19 -49.32 2 4 1 40 268.425 5 ↓

Analogs

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Popular Name: 1-[4-[[(2R)-2-methyl-3-pyrrolidin-1-yl-propyl]amino]-1-piperidyl]ethanone 1-[4-[[(2R)-2-methyl-3-pyrrolidi…

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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) 1.06 7.33 -118.89 3 4 2 41 269.433 5 ↓
Hi High (pH 8-9.5) 1.06 6.19 -40.8 2 4 1 37 268.425 5 ↓
Mid Mid (pH 6-8) 1.06 5.26 -46.45 2 4 1 40 268.425 5 ↓

Analogs

37859813
37859813
37859814
37859814

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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) 1.67 7.44 -114.51 3 5 2 51 285.432 7 ↓
Hi High (pH 8-9.5) 1.67 6.24 -38.59 2 5 1 46 284.424 7 ↓
Mid Mid (pH 6-8) 1.67 5.06 -48.17 2 5 1 49 284.424 7 ↓

Analogs

44686209
44686209
44686211
44686211

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Popular Name: N,N-dimethyl-2-[4-(3-pyrrolidin-1-ylpropylamino)-1-piperidyl]acetamide N,N-dimethyl-2-[4-(3-pyrrolidin-…

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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) 0.13 5.78 -107.89 3 5 2 45 298.475 7 ↓
Mid Mid (pH 6-8) 0.13 3.41 -43.01 2 5 1 43 297.467 7 ↓

Analogs

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Popular Name: 1-prop-2-ynyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine 1-prop-2-ynyl-N-(3-pyrrolidin-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) 1.38 6.61 -105.42 3 3 2 24 251.418 6 ↓
Mid Mid (pH 6-8) 1.38 4.24 -39.97 2 3 1 23 250.41 6 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine 1-(3-methylbut-2-enyl)-N-(3-pyrr…

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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) 2.90 8.07 -103.57 3 3 2 24 281.488 7 ↓
Hi High (pH 8-9.5) 2.90 5.71 -38.18 2 3 1 23 280.48 7 ↓
Mid Mid (pH 6-8) 2.90 10.33 -183.93 4 3 3 25 282.496 7 ↓

Analogs

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Popular Name: 4-(3-pyrrolidin-1-ylpropylamino)piperidine-1-carboxamide 4-(3-pyrrolidin-1-ylpropylamino)…

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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) 0.50 4.15 -115.12 5 5 2 67 256.394 5 ↓
Hi High (pH 8-9.5) 0.50 2.96 -41.02 4 5 1 63 255.386 5 ↓
Mid Mid (pH 6-8) 0.50 1.69 -49.63 4 5 1 66 255.386 5 ↓

Analogs

42781667
42781667
42781668
42781668
42781955
42781955
42781956
42781956
42782011
42782011

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Popular Name: N-(3-pyrrolidin-1-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-(3-pyrrolidin-1-ylpropyl)-1-(2…

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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) 2.15 6.7 -106.24 3 3 2 24 295.393 7 ↓
Hi High (pH 8-9.5) 2.15 5.51 -34.35 2 3 1 20 294.385 7 ↓
Mid Mid (pH 6-8) 2.15 4.24 -41.38 2 3 1 23 294.385 7 ↓

Analogs

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Popular Name: 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine 1-methylsulfonyl-N-(3-pyrrolidin…

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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) 0.60 4.28 -113.89 3 5 2 58 291.461 6 ↓
Hi High (pH 8-9.5) 0.60 3.1 -41.2 2 5 1 54 290.453 6 ↓
Mid Mid (pH 6-8) 0.60 1.91 -48.57 2 5 1 57 290.453 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine N-methyl-N-(3-pyrrolidin-1-ylpro…

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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) 0.87 5.02 -81.29 3 3 2 24 227.396 5 ↓

Analogs

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Popular Name: N-ethyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine N-ethyl-N-(3-pyrrolidin-1-ylprop…

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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) 1.25 5.69 -84.99 3 3 2 24 241.423 6 ↓

Analogs

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Popular Name: N-propyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine N-propyl-N-(3-pyrrolidin-1-ylpro…

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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 6.43 -85.36 3 3 2 24 255.45 7 ↓

Analogs

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Popular Name: 2-[4-piperidyl(3-pyrrolidin-1-ylpropyl)amino]acetamide 2-[4-piperidyl(3-pyrrolidin-1-yl…

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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) -0.40 2.14 -85.1 5 5 2 67 270.421 7 ↓
Mid Mid (pH 6-8) -0.40 3.95 -180.22 6 5 3 69 271.429 7 ↓
Mid Mid (pH 6-8) -0.40 0.16 -36.82 4 5 1 63 269.413 7 ↓

Parameters Provided:

ring.id = 25600
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 = 25600 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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