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

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-furylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]butanamide N-[2-(2-furylmethyl)-3,4-dihydro…

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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) 2.98 1.27 -45.54 2 4 1 47 299.394 5 ↓

Analogs

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Popular Name: ethyl 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) 2.67 0.95 -45.16 2 5 1 56 301.366 5 ↓

Analogs

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Popular Name: N-[2-(2-furylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxy-acetamide N-[2-(2-furylmethyl)-3,4-dihydro…

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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) 1.53 0.93 -49.14 2 5 1 56 301.366 5 ↓

Analogs

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Popular Name: N-[2-(2-furylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide N-[2-(2-furylmethyl)-3,4-dihydro…

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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 1.08 -46.16 2 4 1 47 271.34 3 ↓

Analogs

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Popular Name: N-[2-(2-furylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide N-[2-(2-furylmethyl)-3,4-dihydro…

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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) 2.42 1.12 -45.78 2 4 1 47 285.367 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.07 0.98 -45.45 2 5 1 56 287.339 4 ↓

Analogs

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Popular Name: N-[2-(2-furylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methyl-propanamide N-[2-(2-furylmethyl)-3,4-dihydro…

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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) 2.67 1.5 -45.53 2 4 1 47 299.394 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[2-(3,4-dihydro-1H-isoquinolin…

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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) 1.88 6.27 -41.63 2 3 1 33 257.357 4 ↓
Mid Mid (pH 6-8) 1.88 8.57 -112.11 3 3 2 34 258.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-furyl]methyl]ethanamine N-[[2-(3,4-dihydro-1H-isoquinoli…

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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) 2.25 7.16 -40.47 2 3 1 33 271.384 5 ↓
Mid Mid (pH 6-8) 2.25 9.45 -112.34 3 3 2 34 272.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[2-(3,4-dihydro-1H-isoquinoli…

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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 -41.33 2 3 1 33 285.411 6 ↓
Mid Mid (pH 6-8) 2.75 10.19 -114.37 3 3 2 34 286.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[2-(3,4-dihydro-1H-isoquinoli…

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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) 2.55 7.68 -38.84 2 3 1 33 285.411 5 ↓
Mid Mid (pH 6-8) 2.55 9.96 -112.14 3 3 2 34 286.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-3-furyl]methyl]ethanamine N-[[5-(3,4-dihydro-1H-isoquinoli…

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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) 2.47 8 -38.53 2 3 1 33 285.411 5 ↓
Lo Low (pH 4.5-6) 2.47 10.29 -93.89 3 3 2 34 286.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-furyl]-N-methyl-methanamine 1-[5-(3,4-dihydro-1H-isoquinolin…

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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) 2.19 6.48 -40.32 2 3 1 33 257.357 4 ↓
Mid Mid (pH 6-8) 2.19 8.76 -94.48 3 3 2 34 258.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-furyl]methyl]ethanamine N-[[5-(3,4-dihydro-1H-isoquinoli…

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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) 2.56 7.33 -39.43 2 3 1 33 271.384 5 ↓
Mid Mid (pH 6-8) 2.56 9.62 -94.34 3 3 2 34 272.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[5-(3,4-dihydro-1H-isoquinoli…

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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) 3.07 8.08 -40.26 2 3 1 33 285.411 6 ↓
Mid Mid (pH 6-8) 3.07 10.39 -95.77 3 3 2 34 286.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[5-(3,4-dihydro-1H-isoquinoli…

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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) 2.86 7.86 -37.96 2 3 1 33 285.411 5 ↓
Mid Mid (pH 6-8) 2.86 10.15 -93.35 3 3 2 34 286.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-furyl]methanamine [5-(3,4-dihydro-1H-isoquinolin-2…

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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 4.62 -45.83 3 3 1 44 243.33 3 ↓
Lo Low (pH 4.5-6) 1.81 6.89 -99.37 4 3 2 45 244.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-furyl]methanamine [2-(3,4-dihydro-1H-isoquinolin-2…

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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) 1.50 4.42 -47.24 3 3 1 44 243.33 3 ↓
Hi High (pH 8-9.5) 1.50 3.99 -4.99 2 3 0 42 242.322 3 ↓
Lo Low (pH 4.5-6) 1.50 6.7 -117.87 4 3 2 45 244.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-2-furyl]methanamine [5-(3,4-dihydro-1H-isoquinolin-2…

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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) 2.19 5.22 -46.21 3 3 1 44 257.357 3 ↓
Lo Low (pH 4.5-6) 2.19 7.51 -99.68 4 3 2 45 258.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-furyl]methanamine [5-(3,4-dihydro-1H-isoquinolin-2…

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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) 1.50 4.45 -45.01 3 3 1 44 243.33 3 ↓
Hi High (pH 8-9.5) 1.50 4.05 -5.65 2 3 0 42 242.322 3 ↓
Lo Low (pH 4.5-6) 1.50 6.72 -98.24 4 3 2 45 244.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[5-(3,4-dihydro-1H-isoquinolin…

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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) 1.88 6.3 -38.97 2 3 1 33 257.357 4 ↓
Lo Low (pH 4.5-6) 1.88 8.6 -94.85 3 3 2 34 258.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-furyl]methyl]ethanamine N-[[5-(3,4-dihydro-1H-isoquinoli…

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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) 2.25 7.16 -38.2 2 3 1 33 271.384 5 ↓
Lo Low (pH 4.5-6) 2.25 9.46 -94.67 3 3 2 34 272.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[5-(3,4-dihydro-1H-isoquinoli…

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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 7.92 -39.07 2 3 1 33 285.411 6 ↓
Lo Low (pH 4.5-6) 2.75 10.21 -96.23 3 3 2 34 286.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[5-(3,4-dihydro-1H-isoquinoli…

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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) 2.55 7.7 -36.95 2 3 1 33 285.411 5 ↓
Lo Low (pH 4.5-6) 2.55 9.99 -94.07 3 3 2 34 286.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-2-furyl]-N-methyl-methanamine 1-[5-(3,4-dihydro-1H-isoquinolin…

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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) 2.56 7.09 -40.52 2 3 1 33 271.384 4 ↓
Lo Low (pH 4.5-6) 2.56 9.38 -94.55 3 3 2 34 272.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]furan-2-carboxylic 5-[(5-amino-3,4-dihydro-1H-isoqu…

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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) 1.64 5.27 -54.2 2 5 -1 83 271.296 3 ↓
Mid Mid (pH 6-8) 1.64 7.56 -68.68 3 5 0 84 272.304 3 ↓

Analogs

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Popular Name: methyl methyl

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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 4.94 -8.52 2 5 0 69 286.331 4 ↓
Mid Mid (pH 6-8) 1.58 7.24 -35.13 3 5 1 70 287.339 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.90 5.14 -9.12 2 5 0 69 286.331 4 ↓
Mid Mid (pH 6-8) 1.90 7.43 -47.82 3 5 1 70 287.339 4 ↓

Parameters Provided:

ring.id = 65884
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 = 65884 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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