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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

42464378
42464378
42464380
42464380

Draw Identity 99% 90% 80% 70%

Popular Name: 1(2H)-quinolineethanamine, 3,4-dihydro-N-[(tetrahydro-2-furanyl)methyl]- 1(2H)-quinolineethanamine, 3,4-d…

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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 7.43 -41.14 2 3 1 29 261.389 5 ↓
Hi High (pH 8-9.5) 2.36 6 -5.08 1 3 0 24 260.381 5 ↓

Analogs

42464378
42464378
42464380
42464380

Draw Identity 99% 90% 80% 70%

Popular Name: 1(2H)-quinolineethanamine, 3,4-dihydro-N-[(tetrahydro-2-furanyl)methyl]- 1(2H)-quinolineethanamine, 3,4-d…

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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 7.44 -41.05 2 3 1 29 261.389 5 ↓
Hi High (pH 8-9.5) 2.36 6.1 -3.83 1 3 0 24 260.381 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(2S)-tetrahydrofuran-2-yl]ethanamine (1S)-N-[2-(3,4-dihydro-2H-quinol…

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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) 3.04 8.16 -40.4 2 3 1 29 275.416 5 ↓
Hi High (pH 8-9.5) 3.04 6.91 -3.97 1 3 0 24 274.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(2S)-tetrahydrofuran-2-yl]ethanamine (1R)-N-[2-(3,4-dihydro-2H-quinol…

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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) 3.04 7.88 -39.61 2 3 1 29 275.416 5 ↓
Hi High (pH 8-9.5) 3.04 6.69 -3.61 1 3 0 24 274.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(2R)-tetrahydrofuran-2-yl]ethanamine (1S)-N-[2-(3,4-dihydro-2H-quinol…

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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) 3.04 7.9 -39.74 2 3 1 29 275.416 5 ↓
Hi High (pH 8-9.5) 3.04 6.67 -4.05 1 3 0 24 274.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(2R)-tetrahydrofuran-2-yl]ethanamine (1R)-N-[2-(3,4-dihydro-2H-quinol…

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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) 3.04 8.14 -40.15 2 3 1 29 275.416 5 ↓
Hi High (pH 8-9.5) 3.04 7.25 -3.23 1 3 0 24 274.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propan-1-amine (2S)-2-(3,4-dihydro-2H-quinolin-…

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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) 2.69 8.46 -37.9 2 3 1 29 275.416 5 ↓
Hi High (pH 8-9.5) 2.69 7.04 -4.88 1 3 0 24 274.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propan-1-amine (2R)-2-(3,4-dihydro-2H-quinolin-…

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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) 2.69 8.51 -38.54 2 3 1 29 275.416 5 ↓
Hi High (pH 8-9.5) 2.69 6.8 -4.97 1 3 0 24 274.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propan-1-amine (2S)-2-(3,4-dihydro-2H-quinolin-…

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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) 2.69 8.47 -38.03 2 3 1 29 275.416 5 ↓
Hi High (pH 8-9.5) 2.69 7.14 -4.03 1 3 0 24 274.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propan-1-amine (2R)-2-(3,4-dihydro-2H-quinolin-…

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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) 2.69 8.52 -37.7 2 3 1 29 275.416 5 ↓
Hi High (pH 8-9.5) 2.69 6.89 -4.06 1 3 0 24 274.408 5 ↓

Parameters Provided:

ring.id = 47951
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 = 47951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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