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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(azepan-1-ylmethyl)-5-methyl-furan-2-carboxylic 4-(azepan-1-ylmethyl)-5-methyl-f…

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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) 2.13 1.4 -69.76 1 4 0 58 237.299 3 ↓

Analogs

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Popular Name: 1-[3-(azepan-1-ylmethyl)-2-furyl]-N-methyl-methanamine 1-[3-(azepan-1-ylmethyl)-2-furyl…

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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 7.12 -105.64 3 3 2 34 224.348 4 ↓
Hi High (pH 8-9.5) 1.90 4.97 -36.37 2 3 1 33 223.34 4 ↓

Analogs

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Popular Name: N-[[3-(azepan-1-ylmethyl)-2-furyl]methyl]ethanamine N-[[3-(azepan-1-ylmethyl)-2-fury…

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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) 2.27 7.97 -105.32 3 3 2 34 238.375 5 ↓
Hi High (pH 8-9.5) 2.27 5.83 -35.29 2 3 1 33 237.367 5 ↓

Analogs

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Popular Name: N-[[3-(azepan-1-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[3-(azepan-1-ylmethyl)-2-fury…

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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) 2.78 8.73 -107.38 3 3 2 34 252.402 6 ↓
Hi High (pH 8-9.5) 2.78 6.58 -35.97 2 3 1 33 251.394 6 ↓

Analogs

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Popular Name: N-[[3-(azepan-1-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[3-(azepan-1-ylmethyl)-2-fury…

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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) 2.57 8.49 -104.79 3 3 2 34 252.402 5 ↓
Hi High (pH 8-9.5) 2.57 6.35 -33.6 2 3 1 33 251.394 5 ↓

Analogs

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Popular Name: [3-(azepan-1-ylmethyl)-2-furyl]methanamine [3-(azepan-1-ylmethyl)-2-furyl]m…

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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) 1.52 5.22 -112.33 4 3 2 45 210.321 3 ↓
Hi High (pH 8-9.5) 1.52 3.09 -41.79 3 3 1 44 209.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(azepan-1-ylmethyl)-5-methyl-2-furyl]methanamine [4-(azepan-1-ylmethyl)-5-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) 1.75 5.89 -93.78 4 3 2 45 224.348 3 ↓
Hi High (pH 8-9.5) 1.75 3.8 -43.24 3 3 1 44 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(azepan-1-ylmethyl)-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-(azepan-1-ylmethyl)-5-methy…

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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) 2.12 7.76 -88.92 3 3 2 34 238.375 4 ↓
Hi High (pH 8-9.5) 2.12 5.67 -37.67 2 3 1 33 237.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(azepan-1-ylmethyl)-5-methyl-2-furyl]methyl]ethanamine N-[[4-(azepan-1-ylmethyl)-5-meth…

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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 8.62 -88.65 3 3 2 34 252.402 5 ↓
Hi High (pH 8-9.5) 2.50 6.51 -36.83 2 3 1 33 251.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(azepan-1-ylmethyl)-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-(azepan-1-ylmethyl)-5-meth…

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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) 3.00 9.37 -90.2 3 3 2 34 266.429 6 ↓
Hi High (pH 8-9.5) 3.00 7.26 -37.62 2 3 1 33 265.421 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(azepan-1-ylmethyl)-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-(azepan-1-ylmethyl)-5-meth…

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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) 2.79 9.14 -87.39 3 3 2 34 266.429 5 ↓
Hi High (pH 8-9.5) 2.79 7.04 -35.36 2 3 1 33 265.421 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(azepan-1-ylmethyl)-5-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[4-(azepan-1-ylmethyl)-5-meth…

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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) 3.31 9.55 -86.71 3 3 2 34 280.456 5 ↓
Hi High (pH 8-9.5) 3.31 7.46 -33.32 2 3 1 33 279.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(azepan-1-ylmethyl)-5-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[4-(azepan-1-ylmethyl)-5-meth…

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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) 3.24 10.07 -90.51 3 3 2 34 280.456 6 ↓
Hi High (pH 8-9.5) 3.24 7.98 -37.53 2 3 1 33 279.448 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(azepan-1-ylmethyl)-2-furyl]methyl]-2-methyl-propan-1-amine N-[[3-(azepan-1-ylmethyl)-2-fury…

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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 9.42 -108.57 3 3 2 34 266.429 6 ↓
Hi High (pH 8-9.5) 3.02 7.27 -35.87 2 3 1 33 265.421 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(azepan-1-ylmethyl)-2-furyl]methyl]-2-methyl-propan-2-amine N-[[3-(azepan-1-ylmethyl)-2-fury…

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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) 3.08 8.91 -102.05 3 3 2 34 266.429 5 ↓
Hi High (pH 8-9.5) 3.08 6.76 -31.7 2 3 1 33 265.421 5 ↓

Analogs

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Popular Name: (2R)-2-(3-furyl)-2-[(2R)-2-methylazepan-1-yl]ethanamine (2R)-2-(3-furyl)-2-[(2R)-2-methy…

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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) 1.42 3.1 -44.41 3 3 1 44 223.34 3 ↓
Hi High (pH 8-9.5) 1.42 2.31 -2.54 2 3 0 42 222.332 3 ↓
Mid Mid (pH 6-8) 1.42 4.33 -27.74 3 3 1 44 223.34 3 ↓

Analogs

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Popular Name: (2R)-2-(3-furyl)-2-[(2S)-2-methylazepan-1-yl]ethanamine (2R)-2-(3-furyl)-2-[(2S)-2-methy…

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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) 1.42 3.36 -45.72 3 3 1 44 223.34 3 ↓
Hi High (pH 8-9.5) 1.42 3.27 -2.69 2 3 0 42 222.332 3 ↓
Mid Mid (pH 6-8) 1.42 5.01 -115.03 4 3 2 45 224.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R)-2-methylazepan-1-yl]methyl]-2-furyl]methanamine [3-[[(2R)-2-methylazepan-1-yl]me…

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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) 1.85 5.55 -106.74 4 3 2 45 224.348 3 ↓
Hi High (pH 8-9.5) 1.85 3.21 -41.65 3 3 1 44 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S)-2-methylazepan-1-yl]methyl]-2-furyl]methanamine [3-[[(2S)-2-methylazepan-1-yl]me…

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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) 1.85 5.35 -105.91 4 3 2 45 224.348 3 ↓
Hi High (pH 8-9.5) 1.85 3.3 -44.23 3 3 1 44 223.34 3 ↓

Parameters Provided:

ring.id = 43650
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 = 43650 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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