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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

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(2-pyridyl)-4-piperidyl]amino]cyclohexanol 4-[[1-(2-pyridyl)-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) 1.60 5.52 -91.26 4 4 2 54 277.412 3 ↓
Mid Mid (pH 6-8) 1.60 5.21 -44.5 3 4 1 53 276.404 3 ↓

Analogs

42858630
42858630
42858633
42858633
42858636
42858636
42858639
42858639

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-(2-pyridyl)piperidin-4-amine N-[(1S,2R,3R)-2,3-dimethylcycloh…

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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 9.8 -88.31 3 3 2 34 289.467 3 ↓
Mid Mid (pH 6-8) 3.70 9.47 -40.42 2 3 1 33 288.459 3 ↓

Analogs

42858630
42858630
42858633
42858633
42858636
42858636
42858639
42858639

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1-(2-pyridyl)piperidin-4-amine N-[(1S,2R,3S)-2,3-dimethylcycloh…

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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 10.22 -86.44 3 3 2 34 289.467 3 ↓
Mid Mid (pH 6-8) 3.70 9.91 -38.34 2 3 1 33 288.459 3 ↓

Analogs

42858630
42858630
42858633
42858633
42858636
42858636
42858639
42858639

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(2-pyridyl)piperidin-4-amine N-[(1R,2R,3R)-2,3-dimethylcycloh…

Find On: PubMed — Wikipedia — Google

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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 9.78 -87.56 3 3 2 34 289.467 3 ↓
Mid Mid (pH 6-8) 3.70 9.45 -40.6 2 3 1 33 288.459 3 ↓

Analogs

42858630
42858630
42858633
42858633
42858636
42858636
42858639
42858639

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-(2-pyridyl)piperidin-4-amine N-[(1R,2R,3S)-2,3-dimethylcycloh…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.01 -87.54 3 3 2 34 289.467 3 ↓
Mid Mid (pH 6-8) 3.70 9.67 -40.74 2 3 1 33 288.459 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-ethylcyclohexyl]-1-(2-pyridyl)piperidin-4-amine N-[(1S,2R)-2-ethylcyclohexyl]-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) 3.96 10.37 -87.05 3 3 2 34 289.467 4 ↓
Mid Mid (pH 6-8) 3.96 10.05 -38.76 2 3 1 33 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-ethylcyclohexyl]-1-(2-pyridyl)piperidin-4-amine N-[(1S,2S)-2-ethylcyclohexyl]-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) 3.96 10.17 -87.98 3 3 2 34 289.467 4 ↓
Mid Mid (pH 6-8) 3.96 9.85 -40.41 2 3 1 33 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-ethylcyclohexyl]-1-(2-pyridyl)piperidin-4-amine N-[(1R,2R)-2-ethylcyclohexyl]-1-…

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Activity (Go SEA)

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) 3.96 10.18 -88.19 3 3 2 34 289.467 4 ↓
Mid Mid (pH 6-8) 3.96 9.84 -40.22 2 3 1 33 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-ethylcyclohexyl]-1-(2-pyridyl)piperidin-4-amine N-[(1R,2S)-2-ethylcyclohexyl]-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.96 10.37 -86.98 3 3 2 34 289.467 4 ↓
Mid Mid (pH 6-8) 3.96 10.05 -39.12 2 3 1 33 288.459 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[1-(2-pyridyl)-4-piperidyl]amino]cyclohexanol (1S,3R)-3-[[1-(2-pyridyl)-4-pipe…

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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) 1.84 5.52 -89.87 4 4 2 54 277.412 3 ↓
Mid Mid (pH 6-8) 1.84 5.21 -42.77 3 4 1 53 276.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[[1-(2-pyridyl)-4-piperidyl]amino]cyclohexanol (1S,3S)-3-[[1-(2-pyridyl)-4-pipe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.84 5.69 -85.78 4 4 2 54 277.412 3 ↓
Mid Mid (pH 6-8) 1.84 5.38 -40.47 3 4 1 53 276.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-[[1-(2-pyridyl)-4-piperidyl]amino]cyclohexanol (1R,3R)-3-[[1-(2-pyridyl)-4-pipe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.84 5.67 -85.48 4 4 2 54 277.412 3 ↓
Mid Mid (pH 6-8) 1.84 5.35 -39.77 3 4 1 53 276.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-[[1-(2-pyridyl)-4-piperidyl]amino]cyclohexanol (1R,3S)-3-[[1-(2-pyridyl)-4-pipe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.84 5.55 -89.7 4 4 2 54 277.412 3 ↓
Mid Mid (pH 6-8) 1.84 5.23 -42.68 3 4 1 53 276.404 3 ↓

Parameters Provided:

ring.id = 546929
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 = 546929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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