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

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(6-methoxy-2-naphthyl)-1-methyl-piperidin-3-amine (2S,3S)-2-(6-methoxy-2-naphthyl)…

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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) 2.41 5.73 -40.47 3 3 1 40 271.384 2 ↓
Lo Low (pH 4.5-6) 2.41 7.48 -118.61 4 3 2 41 272.392 2 ↓
Lo Low (pH 4.5-6) 2.41 7.11 -33.87 3 3 1 40 271.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(6-methoxy-2-naphthyl)-1-methyl-piperidin-3-amine (2S,3R)-2-(6-methoxy-2-naphthyl)…

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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) 2.41 4.99 -45.52 3 3 1 40 271.384 2 ↓
Lo Low (pH 4.5-6) 2.41 7 -117.99 4 3 2 41 272.392 2 ↓
Lo Low (pH 4.5-6) 2.41 6.71 -37.78 3 3 1 40 271.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-methyl-2-(2-naphthyl)piperidin-3-amine (2S,3S)-1-methyl-2-(2-naphthyl)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) 2.37 6.43 -38.36 3 2 1 31 241.358 1 ↓
Lo Low (pH 4.5-6) 2.37 8.19 -115.49 4 2 2 32 242.366 1 ↓
Lo Low (pH 4.5-6) 2.37 7.81 -31.33 3 2 1 30 241.358 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-methyl-2-(2-naphthyl)piperidin-3-amine (2S,3R)-1-methyl-2-(2-naphthyl)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) 2.37 5.69 -41.95 3 2 1 31 241.358 1 ↓
Lo Low (pH 4.5-6) 2.37 7.71 -113.56 4 2 2 32 242.366 1 ↓
Lo Low (pH 4.5-6) 2.37 7.41 -35.19 3 2 1 30 241.358 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-ethyl-2-(6-methoxy-2-naphthyl)piperidin-3-amine (2S,3S)-1-ethyl-2-(6-methoxy-2-n…

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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) 2.78 6.48 -40.71 3 3 1 40 285.411 3 ↓
Lo Low (pH 4.5-6) 2.78 8.11 -117.54 4 3 2 41 286.419 3 ↓
Lo Low (pH 4.5-6) 2.78 7.74 -32.44 3 3 1 40 285.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-ethyl-2-(6-methoxy-2-naphthyl)piperidin-3-amine (2S,3R)-1-ethyl-2-(6-methoxy-2-n…

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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) 2.78 5.77 -45.65 3 3 1 40 285.411 3 ↓
Lo Low (pH 4.5-6) 2.78 7.65 -117.72 4 3 2 41 286.419 3 ↓
Lo Low (pH 4.5-6) 2.78 7.35 -36.02 3 3 1 40 285.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-ethyl-2-(2-naphthyl)piperidin-3-amine (2S,3S)-1-ethyl-2-(2-naphthyl)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) 2.75 7.18 -38.58 3 2 1 31 255.385 2 ↓
Lo Low (pH 4.5-6) 2.75 8.82 -114.38 4 2 2 32 256.393 2 ↓
Lo Low (pH 4.5-6) 2.75 8.44 -29.82 3 2 1 30 255.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-ethyl-2-(2-naphthyl)piperidin-3-amine (2S,3R)-1-ethyl-2-(2-naphthyl)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) 2.75 6.48 -42.09 3 2 1 31 255.385 2 ↓
Lo Low (pH 4.5-6) 2.75 8.35 -113.31 4 2 2 32 256.393 2 ↓
Lo Low (pH 4.5-6) 2.75 8.05 -33.37 3 2 1 30 255.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2-naphthyl)-1-propyl-piperidin-3-amine (2S,3S)-2-(2-naphthyl)-1-propyl-…

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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) 3.25 7.93 -38.9 3 2 1 31 269.412 3 ↓
Lo Low (pH 4.5-6) 3.25 9.56 -116.24 4 2 2 32 270.42 3 ↓
Lo Low (pH 4.5-6) 3.25 9.19 -30.2 3 2 1 30 269.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2-naphthyl)-1-propyl-piperidin-3-amine (2S,3R)-2-(2-naphthyl)-1-propyl-…

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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) 3.25 7.23 -42.2 3 2 1 31 269.412 3 ↓
Lo Low (pH 4.5-6) 3.25 9.09 -114.94 4 2 2 32 270.42 3 ↓
Lo Low (pH 4.5-6) 3.25 8.8 -33.93 3 2 1 30 269.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-isopropyl-2-(2-naphthyl)piperidin-3-amine (2S,3S)-1-isopropyl-2-(2-naphthy…

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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) 3.05 7.52 -38.71 3 2 1 31 269.412 2 ↓
Lo Low (pH 4.5-6) 3.05 8.71 -28.4 3 2 1 30 269.412 2 ↓
Lo Low (pH 4.5-6) 3.05 9.08 -113.5 4 2 2 32 270.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-isopropyl-2-(2-naphthyl)piperidin-3-amine (2S,3R)-1-isopropyl-2-(2-naphthy…

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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) 3.05 6.67 -41.85 3 2 1 31 269.412 2 ↓
Lo Low (pH 4.5-6) 3.05 8.33 -32.02 3 2 1 30 269.412 2 ↓
Lo Low (pH 4.5-6) 3.05 8.62 -111.72 4 2 2 32 270.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-tert-butyl-2-(2-naphthyl)piperidin-3-amine (2S,3S)-1-tert-butyl-2-(2-naphth…

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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) 3.56 7.32 -39.95 3 2 1 31 283.439 2 ↓
Mid Mid (pH 6-8) 3.56 8.61 -27.86 3 2 1 30 283.439 2 ↓
Lo Low (pH 4.5-6) 3.56 9 -113.3 4 2 2 32 284.447 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-tert-butyl-2-(2-naphthyl)piperidin-3-amine (2S,3R)-1-tert-butyl-2-(2-naphth…

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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) 3.56 6.37 -42.01 3 2 1 31 283.439 2 ↓
Mid Mid (pH 6-8) 3.56 8.04 -31.33 3 2 1 30 283.439 2 ↓
Lo Low (pH 4.5-6) 3.56 8.33 -111.22 4 2 2 32 284.447 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-isobutyl-2-(2-naphthyl)piperidin-3-amine (2S,3S)-1-isobutyl-2-(2-naphthyl…

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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) 3.50 8.9 -39.56 3 2 1 31 283.439 3 ↓
Lo Low (pH 4.5-6) 3.50 9.88 -29.8 3 2 1 30 283.439 3 ↓
Lo Low (pH 4.5-6) 3.50 10.24 -115.79 4 2 2 32 284.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-isobutyl-2-(2-naphthyl)piperidin-3-amine (2S,3R)-1-isobutyl-2-(2-naphthyl…

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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) 3.50 8.19 -42.38 3 2 1 31 283.439 3 ↓
Lo Low (pH 4.5-6) 3.50 9.48 -33.28 3 2 1 30 283.439 3 ↓
Lo Low (pH 4.5-6) 3.50 9.78 -115.29 4 2 2 32 284.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-(2-methoxyethyl)-2-(2-naphthyl)piperidin-3-amine (2S,3S)-1-(2-methoxyethyl)-2-(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) 2.36 6.27 -37.4 3 3 1 40 285.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-(2-methoxyethyl)-2-(2-naphthyl)piperidin-3-amine (2S,3R)-1-(2-methoxyethyl)-2-(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) 2.36 5.57 -43.57 3 3 1 40 285.411 4 ↓

Parameters Provided:

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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 = 532115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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