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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: (3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-carbaldehyde (3R)-3-[[cyclopropylmethyl(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) 1.87 7.54 -40.6 1 3 1 31 226.34 6 ↓
Hi High (pH 8-9.5) 1.87 6.11 -7.33 0 3 0 30 225.332 6 ↓

Analogs

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Popular Name: (3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-carbaldehyde (3S)-3-[[cyclopropylmethyl(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) 1.87 6.91 -41.12 1 3 1 31 226.34 6 ↓
Hi High (pH 8-9.5) 1.87 5.06 -4.19 0 3 0 30 225.332 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-(aminomethyl)tetrahydropyran-3-yl]methyl]-N-(cyclopropylmethyl)ethanamine N-[[(3R)-3-(aminomethyl)tetrahyd…

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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) 0.85 4.81 -108.24 4 3 2 41 228.38 6 ↓
Mid Mid (pH 6-8) 0.85 3.89 -43.64 3 3 1 40 227.372 6 ↓
Mid Mid (pH 6-8) 0.85 4.45 -29.61 3 3 1 40 227.372 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-(aminomethyl)tetrahydropyran-3-yl]methyl]-N-(cyclopropylmethyl)ethanamine N-[[(3S)-3-(aminomethyl)tetrahyd…

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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) 0.85 5.26 -111.78 4 3 2 41 228.38 6 ↓
Mid Mid (pH 6-8) 0.85 3.65 -41.5 3 3 1 40 227.372 6 ↓
Mid Mid (pH 6-8) 0.85 4.85 -29.91 3 3 1 40 227.372 6 ↓

Analogs

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Popular Name: [(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methanol [(3S)-3-[[cyclopropylmethyl(ethy…

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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) 1.41 4.21 -32.55 2 3 1 34 228.356 6 ↓

Analogs

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Popular Name: [(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methanol [(3R)-3-[[cyclopropylmethyl(ethy…

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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) 1.41 4.56 -32.06 2 3 1 34 228.356 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methyl]propan-1-amine N-[[(3S)-3-[[cyclopropylmethyl(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) 2.36 8.32 -106.8 3 3 2 30 270.461 9 ↓
Hi High (pH 8-9.5) 2.36 7.2 -31.23 2 3 1 26 269.453 9 ↓
Mid Mid (pH 6-8) 2.36 6.59 -37.32 2 3 1 29 269.453 9 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methyl]propan-1-amine N-[[(3R)-3-[[cyclopropylmethyl(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) 2.36 8.6 -105.78 3 3 2 30 270.461 9 ↓
Hi High (pH 8-9.5) 2.36 7.41 -30.13 2 3 1 26 269.453 9 ↓
Mid Mid (pH 6-8) 2.36 7.09 -39.19 2 3 1 29 269.453 9 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methyl]-2-methyl-propan-1-ami N-[[(3R)-3-[[cyclopropylmethyl(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) 2.60 9.32 -106.47 3 3 2 30 284.488 9 ↓
Mid Mid (pH 6-8) 2.60 7.75 -39.52 2 3 1 29 283.48 9 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methyl]-2-methyl-propan-1-ami N-[[(3S)-3-[[cyclopropylmethyl(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) 2.60 9.06 -107.76 3 3 2 30 284.488 9 ↓
Mid Mid (pH 6-8) 2.60 8.01 -36.89 2 3 1 29 283.48 9 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-(methylaminomethyl)tetrahydropyran-3-yl]methyl]ethanamine N-(cyclopropylmethyl)-N-[[(3R)-3…

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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) 1.83 7.02 -102.98 3 3 2 30 242.407 7 ↓
Mid Mid (pH 6-8) 1.83 5.44 -40.26 2 3 1 29 241.399 7 ↓
Mid Mid (pH 6-8) 1.83 5.87 -29.91 2 3 1 26 241.399 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-(methylaminomethyl)tetrahydropyran-3-yl]methyl]ethanamine N-(cyclopropylmethyl)-N-[[(3S)-3…

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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) 1.83 6.82 -108.95 3 3 2 30 242.407 7 ↓
Mid Mid (pH 6-8) 1.83 5.63 -33.95 2 3 1 26 241.399 7 ↓
Mid Mid (pH 6-8) 1.83 5.67 -37.94 2 3 1 29 241.399 7 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methyl]-2-methyl-propan-2-ami N-[[(3R)-3-[[cyclopropylmethyl(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) 3.02 8.79 -100.24 3 3 2 30 284.488 8 ↓
Mid Mid (pH 6-8) 3.02 7.23 -35.55 2 3 1 29 283.48 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methyl]-2-methyl-propan-2-ami N-[[(3S)-3-[[cyclopropylmethyl(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) 3.02 8.54 -103.39 3 3 2 30 284.488 8 ↓
Mid Mid (pH 6-8) 3.02 7.48 -33.56 2 3 1 29 283.48 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methyl]ethanamine N-[[(3S)-3-[[cyclopropylmethyl(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) 1.86 7.55 -104.71 3 3 2 30 256.434 8 ↓
Hi High (pH 8-9.5) 1.86 6.44 -31.06 2 3 1 26 255.426 8 ↓
Mid Mid (pH 6-8) 1.86 5.82 -36.49 2 3 1 29 255.426 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methyl]ethanamine N-[[(3R)-3-[[cyclopropylmethyl(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) 1.86 7.85 -103.94 3 3 2 30 256.434 8 ↓
Hi High (pH 8-9.5) 1.86 6.65 -29.99 2 3 1 26 255.426 8 ↓
Mid Mid (pH 6-8) 1.86 6.34 -38.29 2 3 1 29 255.426 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methyl]propan-2-amine N-[[(3R)-3-[[cyclopropylmethyl(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) 2.50 8.39 -102.3 3 3 2 30 270.461 8 ↓
Mid Mid (pH 6-8) 2.50 6.83 -37.46 2 3 1 29 269.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methyl]propan-2-amine N-[[(3S)-3-[[cyclopropylmethyl(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) 2.50 8.14 -103.87 3 3 2 30 270.461 8 ↓
Mid Mid (pH 6-8) 2.50 7.06 -35.24 2 3 1 29 269.453 8 ↓

Analogs

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Popular Name: (3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-carboxylic (3R)-3-[[cyclopropylmethyl(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) 1.29 7.48 -31.82 1 4 0 54 241.331 6 ↓

Analogs

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Popular Name: (3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-carboxylic (3S)-3-[[cyclopropylmethyl(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) 1.29 7.16 -38.34 1 4 0 54 241.331 6 ↓

Parameters Provided:

ring.id = 260505
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 = 260505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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