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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: 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-tetrahydropyran-4-amine 4-(aminomethyl)-N-(cyclobutylmet…

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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) 0.64 2.04 -44.31 3 3 1 40 213.345 4 ↓
Hi High (pH 8-9.5) 0.64 1.16 -1.79 2 3 0 38 212.337 4 ↓
Mid Mid (pH 6-8) 0.64 3.3 -29.94 3 3 1 40 213.345 4 ↓

Analogs

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Popular Name: (2R,4R)-N-(cyclobutylmethyl)-2-propyl-tetrahydropyran-4-amine (2R,4R)-N-(cyclobutylmethyl)-2-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) 2.94 6.69 -39.19 2 2 1 26 212.357 5 ↓

Analogs

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Popular Name: (2S,4R)-N-(cyclobutylmethyl)-2-propyl-tetrahydropyran-4-amine (2S,4R)-N-(cyclobutylmethyl)-2-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) 2.94 6.86 -38.62 2 2 1 26 212.357 5 ↓

Analogs

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Popular Name: (2R,4S)-N-(cyclobutylmethyl)-2-propyl-tetrahydropyran-4-amine (2R,4S)-N-(cyclobutylmethyl)-2-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) 2.94 6.86 -38.55 2 2 1 26 212.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(cyclobutylmethyl)-2-propyl-tetrahydropyran-4-amine (2S,4S)-N-(cyclobutylmethyl)-2-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) 2.94 6.68 -39.08 2 2 1 26 212.357 5 ↓

Analogs

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Popular Name: (2R,4R)-N-(cyclobutylmethyl)-2-ethyl-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-(cyclobutylmethyl)-2-e…

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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) 2.83 6.14 -39.34 2 2 1 26 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(cyclobutylmethyl)-2-ethyl-2-methyl-tetrahydropyran-4-amine (2S,4R)-N-(cyclobutylmethyl)-2-e…

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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) 2.83 6.16 -39.51 2 2 1 26 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(cyclobutylmethyl)-2-ethyl-2-methyl-tetrahydropyran-4-amine (2R,4S)-N-(cyclobutylmethyl)-2-e…

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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) 2.83 6.11 -39.47 2 2 1 26 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(cyclobutylmethyl)-2-ethyl-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-(cyclobutylmethyl)-2-e…

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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) 2.83 6.17 -39.24 2 2 1 26 212.357 4 ↓

Analogs

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Popular Name: (4R)-N-(cyclobutylmethyl)-2,2-dimethyl-tetrahydropyran-4-amine (4R)-N-(cyclobutylmethyl)-2,2-di…

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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) 2.33 5.47 -39.33 2 2 1 26 198.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(cyclobutylmethyl)-2,2-dimethyl-tetrahydropyran-4-amine (4S)-N-(cyclobutylmethyl)-2,2-di…

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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) 2.33 5.47 -39.24 2 2 1 26 198.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-(cyclobutylmethyl)-2-ethyl-tetrahydropyran-4-amine (2R,4R)-N-(cyclobutylmethyl)-2-e…

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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) 2.38 5.92 -39.09 2 2 1 26 198.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(cyclobutylmethyl)-2-ethyl-tetrahydropyran-4-amine (2S,4R)-N-(cyclobutylmethyl)-2-e…

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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) 2.38 6.09 -38.48 2 2 1 26 198.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(cyclobutylmethyl)-2-ethyl-tetrahydropyran-4-amine (2R,4S)-N-(cyclobutylmethyl)-2-e…

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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) 2.38 6.08 -38.47 2 2 1 26 198.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(cyclobutylmethyl)-2-ethyl-tetrahydropyran-4-amine (2S,4S)-N-(cyclobutylmethyl)-2-e…

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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) 2.38 5.91 -38.98 2 2 1 26 198.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-(cyclobutylmethyl)-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-(cyclobutylmethyl)-2-m…

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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 5.08 -38.84 2 2 1 26 184.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(cyclobutylmethyl)-2-methyl-tetrahydropyran-4-amine (2S,4R)-N-(cyclobutylmethyl)-2-m…

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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 4.82 -38.7 2 2 1 26 184.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(cyclobutylmethyl)-2-methyl-tetrahydropyran-4-amine (2R,4S)-N-(cyclobutylmethyl)-2-m…

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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 4.81 -38.61 2 2 1 26 184.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(cyclobutylmethyl)-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-(cyclobutylmethyl)-2-m…

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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 5.08 -38.84 2 2 1 26 184.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(cyclobutylmethyl)-2-isopropyl-tetrahydropyran-4-amine (2S,4R)-N-(cyclobutylmethyl)-2-i…

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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) 2.62 6.45 -39.43 2 2 1 26 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-(cyclobutylmethyl)-2-isopropyl-tetrahydropyran-4-amine (2R,4R)-N-(cyclobutylmethyl)-2-i…

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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) 2.62 6.68 -38.75 2 2 1 26 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(cyclobutylmethyl)-2-isopropyl-tetrahydropyran-4-amine (2S,4S)-N-(cyclobutylmethyl)-2-i…

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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) 2.62 6.61 -38.7 2 2 1 26 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(cyclobutylmethyl)-2-isopropyl-tetrahydropyran-4-amine (2R,4S)-N-(cyclobutylmethyl)-2-i…

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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) 2.62 6.5 -39.26 2 2 1 26 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-(aminomethyl)-N-(cyclobutylmethyl)-N,2-dimethyl-tetrahydropyran-4-amine (2R,4S)-4-(aminomethyl)-N-(cyclo…

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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) 1.00 3.12 -45.97 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.00 4.89 -29.94 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.00 4.61 -118 4 3 2 41 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(aminomethyl)-N-(cyclobutylmethyl)-N,2-dimethyl-tetrahydropyran-4-amine (2S,4S)-4-(aminomethyl)-N-(cyclo…

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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) 1.00 2.67 -45 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.00 4.07 -30.3 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.00 4.56 -124.05 4 3 2 41 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(aminomethyl)-N-(cyclobutylmethyl)-N,2-dimethyl-tetrahydropyran-4-amine (2R,4R)-4-(aminomethyl)-N-(cyclo…

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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) 1.00 2.64 -44.13 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.00 4.04 -30.5 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.00 4.51 -123.83 4 3 2 41 228.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(aminomethyl)-N-(cyclobutylmethyl)-N,2-dimethyl-tetrahydropyran-4-amine (2S,4R)-4-(aminomethyl)-N-(cyclo…

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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) 1.00 3.17 -46.03 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.00 5 -29.75 3 3 1 40 227.372 4 ↓
Mid Mid (pH 6-8) 1.00 4.7 -117.87 4 3 2 41 228.38 4 ↓

Parameters Provided:

ring.id = 217252
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 = 217252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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