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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: 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(5-nitro-2-furyl)methyl]methanamine 1-[(2R)-1-ethylpyrrolidin-2-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) 1.63 5.62 -50.62 2 6 1 79 254.31 6 ↓
Mid Mid (pH 6-8) 1.63 7.41 -133.36 3 6 2 80 255.318 6 ↓
Mid Mid (pH 6-8) 1.63 6.13 -38.91 2 6 1 75 254.31 6 ↓

Analogs

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Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(5-nitro-2-furyl)methyl]methanamine 1-[(2S)-1-ethylpyrrolidin-2-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) 1.63 5.63 -52.64 2 6 1 79 254.31 6 ↓
Mid Mid (pH 6-8) 1.63 7.44 -130.95 3 6 2 80 255.318 6 ↓
Mid Mid (pH 6-8) 1.63 6.06 -37.7 2 6 1 75 254.31 6 ↓

Analogs

44686447
44686447
44686448
44686448

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(5-iodo-2-furyl)methyl]methanamine 1-[(2R)-1-ethylpyrrolidin-2-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) 2.76 6.12 -38.99 2 3 1 33 335.209 5 ↓
Mid Mid (pH 6-8) 2.76 7.91 -117.2 3 3 2 34 336.217 5 ↓
Mid Mid (pH 6-8) 2.76 6.63 -30.45 2 3 1 30 335.209 5 ↓

Analogs

44686447
44686447
44686448
44686448

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(5-iodo-2-furyl)methyl]methanamine 1-[(2S)-1-ethylpyrrolidin-2-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) 2.76 6.13 -40.05 2 3 1 33 335.209 5 ↓
Mid Mid (pH 6-8) 2.76 7.94 -115.74 3 3 2 34 336.217 5 ↓
Mid Mid (pH 6-8) 2.76 6.56 -30.69 2 3 1 30 335.209 5 ↓

Analogs

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Popular Name: 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]methanamine 1-[(2R)-1-ethylpyrrolidin-2-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) 2.28 6.96 -38.69 2 3 1 33 269.434 7 ↓
Mid Mid (pH 6-8) 2.28 8.75 -116.33 3 3 2 34 270.442 7 ↓
Mid Mid (pH 6-8) 2.28 7.48 -31.59 2 3 1 30 269.434 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]methanamine 1-[(2S)-1-ethylpyrrolidin-2-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) 2.28 6.97 -39.56 2 3 1 33 269.434 7 ↓
Mid Mid (pH 6-8) 2.28 8.78 -115.23 3 3 2 34 270.442 7 ↓
Mid Mid (pH 6-8) 2.28 7.4 -32.31 2 3 1 30 269.434 7 ↓

Analogs

42445963
42445963
35702376
35702376
35702379
35702379

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine N-(2-furylmethyl)-N-[[(2S)-pyrro…

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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) 1.55 4.21 -33.3 2 3 1 33 209.313 5 ↓
Mid Mid (pH 6-8) 1.55 5.35 -31.05 2 3 1 30 209.313 5 ↓

Analogs

42445961
42445961
35702376
35702376
35702379
35702379

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine N-(2-furylmethyl)-N-[[(2R)-pyrro…

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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) 1.55 4.05 -35.09 2 3 1 33 209.313 5 ↓
Mid Mid (pH 6-8) 1.55 4.93 -33.23 2 3 1 30 209.313 5 ↓

Analogs

42446001
42446001
40637491
40637491
40637492
40637492

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]ethanamine N-(2-furylmethyl)-N-[[(2S,4S)-4-…

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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 3.6 -38.43 2 4 1 42 239.339 6 ↓
Mid Mid (pH 6-8) 1.25 5.47 -117.45 3 4 2 43 240.347 6 ↓

Analogs

42445999
42445999
40637491
40637491
40637492
40637492

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N-[[(2R,4S)-4-methoxypyrrolidin-2-yl]methyl]ethanamine N-(2-furylmethyl)-N-[[(2R,4S)-4-…

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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 2.97 -37.42 2 4 1 42 239.339 6 ↓
Mid Mid (pH 6-8) 1.25 5.25 -116.57 3 4 2 43 240.347 6 ↓

Parameters Provided:

ring.id = 300920
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 = 300920 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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