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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: (2R)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2R)-2-(1,3,4,5-tetrahydro-2-ben…

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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 4.36 -54.34 3 3 1 40 261.389 3 ↓
Hi High (pH 8-9.5) 1.53 5.16 -33.77 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 1.53 5.55 -130.25 4 3 2 41 262.397 3 ↓

Analogs

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Popular Name: (2S)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-[(3S)-tetrahydrofuran-3-yl]ethanamine (2S)-2-(1,3,4,5-tetrahydro-2-ben…

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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 4.28 -46.15 3 3 1 40 261.389 3 ↓
Hi High (pH 8-9.5) 1.53 4.98 -33.21 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 1.53 5.43 -126.82 4 3 2 41 262.397 3 ↓

Analogs

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Popular Name: (3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-carbaldehyde (3R)-3-(1,3,4,5-tetrahydro-2-ben…

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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) 2.26 7.54 -47.37 1 3 1 31 260.357 3 ↓
Hi High (pH 8-9.5) 2.26 5.96 -6.72 0 3 0 30 259.349 3 ↓

Analogs

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Popular Name: (3S)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-carbaldehyde (3S)-3-(1,3,4,5-tetrahydro-2-ben…

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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) 2.26 6.88 -45.55 1 3 1 31 260.357 3 ↓
Hi High (pH 8-9.5) 2.26 4.81 -7.19 0 3 0 30 259.349 3 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-yl]methanamine N-methyl-1-[(3S)-3-(1,3,4,5-tetr…

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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) 2.22 5.25 -45.19 2 3 1 29 275.416 4 ↓
Lo Low (pH 4.5-6) 2.22 7.43 -105.69 3 3 2 30 276.424 4 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-yl]methanamine N-methyl-1-[(3R)-3-(1,3,4,5-tetr…

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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) 2.22 6.52 -34.85 2 3 1 29 275.416 4 ↓
Lo Low (pH 4.5-6) 2.22 8.01 -105.64 3 3 2 30 276.424 4 ↓

Analogs

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Popular Name: N-[[(3S)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3S)-3-(1,3,4,5-tetrahydro-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) 2.25 6.12 -44.25 2 3 1 29 289.443 5 ↓
Lo Low (pH 4.5-6) 2.25 8.3 -106.33 3 3 2 30 290.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3R)-3-(1,3,4,5-tetrahydro-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) 2.25 5.17 -38.82 2 3 1 29 289.443 5 ↓
Lo Low (pH 4.5-6) 2.25 7.69 -105.25 3 3 2 30 290.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-yl]methanamine [(3R)-3-(1,3,4,5-tetrahydro-2-be…

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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) 1.24 3.09 -46.72 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 1.24 6.04 -109.6 4 3 2 41 262.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-yl]methanamine [(3S)-3-(1,3,4,5-tetrahydro-2-be…

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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) 1.24 4.99 -49.2 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 1.24 6.3 -109.35 4 3 2 41 262.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-carboxylic (3R)-3-(1,3,4,5-tetrahydro-2-ben…

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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) 1.68 7.6 -39.12 1 4 0 54 275.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-carboxylic (3S)-3-(1,3,4,5-tetrahydro-2-ben…

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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) 1.68 8.39 -35.35 1 4 0 54 275.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-yl]methanol [(3S)-3-(1,3,4,5-tetrahydro-2-be…

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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 5.23 -41.17 2 3 1 34 262.373 3 ↓
Hi High (pH 8-9.5) 1.81 2.33 -5.85 1 3 0 33 261.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-yl]methanol [(3R)-3-(1,3,4,5-tetrahydro-2-be…

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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 5.93 -36.61 2 3 1 34 262.373 3 ↓
Hi High (pH 8-9.5) 1.81 2.33 -5.27 1 3 0 33 261.365 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 314524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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