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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]tetrahydrofuran-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) 1.60 5.67 -39.88 1 3 1 31 212.313 6 ↓
Hi High (pH 8-9.5) 1.60 3.08 -6.79 0 3 0 30 211.305 6 ↓

Analogs

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Popular Name: (3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 1.60 5.89 -42.63 1 3 1 31 212.313 6 ↓
Hi High (pH 8-9.5) 1.60 4.27 -3.98 0 3 0 30 211.305 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-(aminomethyl)tetrahydrofuran-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) 0.58 4.38 -105.44 4 3 2 41 214.353 6 ↓
Mid Mid (pH 6-8) 0.58 2.8 -38.82 3 3 1 40 213.345 6 ↓
Mid Mid (pH 6-8) 0.58 3.94 -34.5 3 3 1 40 213.345 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-(aminomethyl)tetrahydrofuran-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) 0.58 4.4 -110.31 4 3 2 41 214.353 6 ↓
Mid Mid (pH 6-8) 0.58 3.01 -47.03 3 3 1 40 213.345 6 ↓
Mid Mid (pH 6-8) 0.58 4.09 -32.54 3 3 1 40 213.345 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-(methylaminomethyl)tetrahydrofuran-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) 1.56 5.39 -97.53 3 3 2 30 228.38 7 ↓
Mid Mid (pH 6-8) 1.56 5.24 -34.53 2 3 1 26 227.372 7 ↓
Mid Mid (pH 6-8) 1.56 3.49 -37.4 2 3 1 29 227.372 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-(methylaminomethyl)tetrahydrofuran-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) 1.56 5.7 -97.91 3 3 2 30 228.38 7 ↓
Mid Mid (pH 6-8) 1.56 4.95 -32.85 2 3 1 26 227.372 7 ↓
Mid Mid (pH 6-8) 1.56 3.58 -42.72 2 3 1 29 227.372 7 ↓

Analogs

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Popular Name: (3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 1.02 6.38 -39.87 1 4 0 54 227.304 6 ↓

Analogs

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Popular Name: (3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 1.02 6.62 -29.64 1 4 0 54 227.304 6 ↓

Analogs

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Popular Name: [(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 1.14 3.59 -37.97 2 3 1 34 214.329 6 ↓
Hi High (pH 8-9.5) 1.14 1.93 -3.89 1 3 0 33 213.321 6 ↓

Analogs

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Popular Name: [(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 1.14 3.56 -35.97 2 3 1 34 214.329 6 ↓
Hi High (pH 8-9.5) 1.14 0.78 -3.67 1 3 0 33 213.321 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 2.75 7.9 -94.76 3 3 2 30 270.461 8 ↓
Mid Mid (pH 6-8) 2.75 3.81 -32.9 2 3 1 29 269.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 2.75 7.47 -96.49 3 3 2 30 270.461 8 ↓
Mid Mid (pH 6-8) 2.75 5.37 -38.48 2 3 1 29 269.453 8 ↓

Analogs

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Popular Name: N-[[(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 2.09 7.29 -100.47 3 3 2 30 256.434 9 ↓
Hi High (pH 8-9.5) 2.09 6.77 -33.13 2 3 1 26 255.426 9 ↓
Mid Mid (pH 6-8) 2.09 6.35 -40.94 2 3 1 29 255.426 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 2.09 6.23 -98.44 3 3 2 30 256.434 9 ↓
Hi High (pH 8-9.5) 2.09 6.52 -35.09 2 3 1 26 255.426 9 ↓
Mid Mid (pH 6-8) 2.09 6.36 -35.91 2 3 1 29 255.426 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 1.59 6.53 -98.62 3 3 2 30 242.407 8 ↓
Mid Mid (pH 6-8) 1.59 5.6 -40.01 2 3 1 29 241.399 8 ↓
Mid Mid (pH 6-8) 1.59 6.01 -33.07 2 3 1 26 241.399 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 1.59 6.98 -96.69 3 3 2 30 242.407 8 ↓
Mid Mid (pH 6-8) 1.59 5.84 -35.28 2 3 1 29 241.399 8 ↓
Mid Mid (pH 6-8) 1.59 5.88 -34.65 2 3 1 26 241.399 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 2.23 7.48 -95.83 3 3 2 30 256.434 8 ↓
Mid Mid (pH 6-8) 2.23 3.4 -34.66 2 3 1 29 255.426 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 2.23 7.08 -97.56 3 3 2 30 256.434 8 ↓
Mid Mid (pH 6-8) 2.23 4.96 -40.12 2 3 1 29 255.426 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 2.33 8.42 -99 3 3 2 30 270.461 9 ↓
Mid Mid (pH 6-8) 2.33 4.33 -36.82 2 3 1 29 269.453 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydrofuran-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) 2.33 8 -101.11 3 3 2 30 270.461 9 ↓
Mid Mid (pH 6-8) 2.33 5.89 -42.48 2 3 1 29 269.453 9 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylmethylamino)-2-[(3S)-tetrahydrofuran-3-yl]ethanol (2R)-2-(cyclopropylmethylamino)-…

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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) 0.81 1.09 -37.81 3 3 1 46 186.275 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylmethylamino)-2-[(3S)-tetrahydrofuran-3-yl]ethanol (2S)-2-(cyclopropylmethylamino)-…

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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) 0.81 1.18 -38.74 3 3 1 46 186.275 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylmethylamino)-2-[(3R)-tetrahydrofuran-3-yl]ethanol (2R)-2-(cyclopropylmethylamino)-…

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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) 0.81 1.23 -38.65 3 3 1 46 186.275 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylmethylamino)-2-[(3R)-tetrahydrofuran-3-yl]ethanol (2S)-2-(cyclopropylmethylamino)-…

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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) 0.81 1.2 -37.53 3 3 1 46 186.275 5 ↓

Parameters Provided:

ring.id = 260499
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 = 260499 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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