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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: N-methyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine N-methyl-N-[[(3S)-3-methylpyrrol…

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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 2.74 -38.27 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.25 4.47 -103.3 3 3 2 30 214.353 3 ↓

Analogs

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Popular Name: N-methyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine N-methyl-N-[[(3R)-3-methylpyrrol…

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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 2.82 -38.44 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.25 4.54 -104.12 3 3 2 30 214.353 3 ↓

Analogs

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Popular Name: N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[(3S)-3-ethylpyrrolidin-3-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) 1.58 3.46 -38.08 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.58 5.11 -108.52 3 3 2 30 228.38 4 ↓

Analogs

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Popular Name: N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[(3R)-3-ethylpyrrolidin-3-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) 1.58 3.31 -39.61 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.58 4.94 -102.76 3 3 2 30 228.38 4 ↓

Analogs

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Popular Name: N-methyl-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine N-methyl-N-[[(3S)-3-propylpyrrol…

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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) 2.14 4 -38.97 2 3 1 29 241.399 5 ↓
Mid Mid (pH 6-8) 2.14 5.84 -107.43 3 3 2 30 242.407 5 ↓

Analogs

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Popular Name: N-methyl-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine N-methyl-N-[[(3R)-3-propylpyrrol…

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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) 2.14 3.86 -40.29 2 3 1 29 241.399 5 ↓
Mid Mid (pH 6-8) 2.14 5.7 -104.85 3 3 2 30 242.407 5 ↓

Analogs

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Popular Name: (2R,4R)-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-[[(3R)-1-ethylpyrrolid…

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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) 1.74 6.08 -104.17 3 3 2 30 228.38 4 ↓
Mid Mid (pH 6-8) 1.74 4.89 -33.93 2 3 1 26 227.372 4 ↓
Mid Mid (pH 6-8) 1.74 3.61 -41.19 2 3 1 29 227.372 4 ↓

Analogs

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Popular Name: (2R,4R)-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-[[(3S)-1-ethylpyrrolid…

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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) 1.74 6.11 -103.1 3 3 2 30 228.38 4 ↓
Mid Mid (pH 6-8) 1.74 3.65 -41.96 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.74 4.96 -33.33 2 3 1 26 227.372 4 ↓

Analogs

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Popular Name: (4R)-2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (4R)-2,2-dimethyl-N-[[(3S)-1-met…

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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) 1.81 5.75 -104.33 3 3 2 30 228.38 3 ↓
Hi High (pH 8-9.5) 1.81 4.59 -34.63 2 3 1 26 227.372 3 ↓
Mid Mid (pH 6-8) 1.81 3.11 -40.89 2 3 1 29 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,2-dimethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (4S)-2,2-dimethyl-N-[[(3S)-1-met…

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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) 1.81 5.73 -103.52 3 3 2 30 228.38 3 ↓
Hi High (pH 8-9.5) 1.81 4.56 -34.76 2 3 1 26 227.372 3 ↓
Mid Mid (pH 6-8) 1.81 3.19 -41.85 2 3 1 29 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (4R)-2,2-dimethyl-N-[[(3R)-1-met…

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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) 1.81 5.74 -103.63 3 3 2 30 228.38 3 ↓
Hi High (pH 8-9.5) 1.81 4.61 -34.18 2 3 1 26 227.372 3 ↓
Mid Mid (pH 6-8) 1.81 3.1 -41.95 2 3 1 29 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (4S)-2,2-dimethyl-N-[[(3R)-1-met…

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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) 1.81 5.75 -103.58 3 3 2 30 228.38 3 ↓
Hi High (pH 8-9.5) 1.81 4.6 -34.38 2 3 1 26 227.372 3 ↓
Mid Mid (pH 6-8) 1.81 3.1 -41.84 2 3 1 29 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (2R,4R)-2-ethyl-N-[[(3S)-1-methy…

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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) 1.87 6.21 -103.64 3 3 2 30 228.38 4 ↓
Mid Mid (pH 6-8) 1.87 3.57 -40.7 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.87 5.02 -34.29 2 3 1 26 227.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (2S,4R)-2-ethyl-N-[[(3S)-1-methy…

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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) 1.87 6.37 -102.67 3 3 2 30 228.38 4 ↓
Mid Mid (pH 6-8) 1.87 5.29 -34.5 2 3 1 26 227.372 4 ↓
Mid Mid (pH 6-8) 1.87 3.81 -40.89 2 3 1 29 227.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (2R,4S)-2-ethyl-N-[[(3S)-1-methy…

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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) 1.87 6.36 -104.06 3 3 2 30 228.38 4 ↓
Mid Mid (pH 6-8) 1.87 3.74 -40.21 2 3 1 29 227.372 4 ↓
Mid Mid (pH 6-8) 1.87 5.49 -34.71 2 3 1 26 227.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (2S,4S)-2-ethyl-N-[[(3S)-1-methy…

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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) 1.87 6.19 -103.98 3 3 2 30 228.38 4 ↓
Mid Mid (pH 6-8) 1.87 5.01 -34.64 2 3 1 26 227.372 4 ↓
Mid Mid (pH 6-8) 1.87 3.57 -41 2 3 1 29 227.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (2R,4R)-2-methyl-N-[[(3S)-1-meth…

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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) 1.37 5.38 -103.23 3 3 2 30 214.353 3 ↓
Mid Mid (pH 6-8) 1.37 4.2 -34.45 2 3 1 26 213.345 3 ↓
Mid Mid (pH 6-8) 1.37 2.74 -40.53 2 3 1 29 213.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (2S,4R)-2-methyl-N-[[(3S)-1-meth…

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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) 1.37 5.11 -102.3 3 3 2 30 214.353 3 ↓
Mid Mid (pH 6-8) 1.37 2.53 -41.09 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.37 3.94 -34.3 2 3 1 26 213.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (2R,4S)-2-methyl-N-[[(3S)-1-meth…

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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) 1.37 5.09 -103.51 3 3 2 30 214.353 3 ↓
Mid Mid (pH 6-8) 1.37 3.91 -34.77 2 3 1 26 213.345 3 ↓
Mid Mid (pH 6-8) 1.37 2.46 -40.58 2 3 1 29 213.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]tetrahydropyran-4-amine (2S,4S)-2-methyl-N-[[(3S)-1-meth…

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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) 1.37 5.36 -102.42 3 3 2 30 214.353 3 ↓
Mid Mid (pH 6-8) 1.37 2.82 -41.46 2 3 1 29 213.345 3 ↓
Mid Mid (pH 6-8) 1.37 4.18 -34.62 2 3 1 26 213.345 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 306585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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