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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: (1R)-2-(azepan-1-yl)-1-(4-isobutylphenyl)ethanamine (1R)-2-(azepan-1-yl)-1-(4-isobut…

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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) 2.17 9.78 -33.41 3 2 1 30 275.46 5 ↓
Mid Mid (pH 6-8) 2.17 10.06 -133.36 4 2 2 32 276.468 5 ↓

Analogs

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Popular Name: (1S)-2-(azepan-1-yl)-1-(4-isobutylphenyl)ethanamine (1S)-2-(azepan-1-yl)-1-(4-isobut…

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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) 2.17 9.63 -35.94 3 2 1 30 275.46 5 ↓
Mid Mid (pH 6-8) 2.17 9.97 -133.01 4 2 2 32 276.468 5 ↓

Analogs

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Popular Name: (1R)-1-phenyl-2-[(4S)-4-propylazepan-1-yl]ethanol (1R)-1-phenyl-2-[(4S)-4-propylaz…

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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) 3.82 8.66 -36.24 2 2 1 25 262.417 5 ↓

Analogs

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Popular Name: (2S)-2-(ethylamino)-3-[(4S)-4-methylazepan-1-yl]-2-phenyl-propan-1-ol (2S)-2-(ethylamino)-3-[(4S)-4-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) 2.94 6.39 -33.08 3 3 1 37 291.459 6 ↓
Lo Low (pH 4.5-6) 2.94 7.35 -110.29 4 3 2 41 292.467 6 ↓

Analogs

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Popular Name: (2R)-2-(ethylamino)-3-[(4S)-4-methylazepan-1-yl]-2-phenyl-propan-1-ol (2R)-2-(ethylamino)-3-[(4S)-4-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) 2.94 6.73 -30.08 3 3 1 37 291.459 6 ↓
Lo Low (pH 4.5-6) 2.94 7.17 -107.78 4 3 2 41 292.467 6 ↓

Analogs

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Popular Name: (2R)-2-(methylamino)-3-[(4R)-4-methylazepan-1-yl]-2-phenyl-propan-1-ol (2R)-2-(methylamino)-3-[(4R)-4-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) 2.57 5.44 -32.73 3 3 1 37 277.432 5 ↓
Lo Low (pH 4.5-6) 2.57 6.53 -110.95 4 3 2 41 278.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(methylamino)-3-[(4S)-4-methylazepan-1-yl]-2-phenyl-propan-1-ol (2R)-2-(methylamino)-3-[(4S)-4-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) 2.57 5.56 -32.6 3 3 1 37 277.432 5 ↓
Lo Low (pH 4.5-6) 2.57 6.39 -111.04 4 3 2 41 278.44 5 ↓

Analogs

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Popular Name: (2S)-2-(ethylamino)-3-[(2S)-2-methylazepan-1-yl]-2-phenyl-propan-1-ol (2S)-2-(ethylamino)-3-[(2S)-2-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) 3.27 6.22 -30.34 3 3 1 37 291.459 6 ↓
Lo Low (pH 4.5-6) 3.27 7.16 -106.29 4 3 2 41 292.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(ethylamino)-3-[(2S)-2-methylazepan-1-yl]-2-phenyl-propan-1-ol (2R)-2-(ethylamino)-3-[(2S)-2-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) 3.27 6.79 -28.86 3 3 1 37 291.459 6 ↓
Lo Low (pH 4.5-6) 3.27 7.23 -107.95 4 3 2 41 292.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(methylamino)-3-[(2R)-2-methylazepan-1-yl]-2-phenyl-propan-1-ol (2R)-2-(methylamino)-3-[(2R)-2-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) 2.89 5.19 -30.47 3 3 1 37 277.432 5 ↓
Lo Low (pH 4.5-6) 2.89 6.21 -107.99 4 3 2 41 278.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(methylamino)-3-[(2S)-2-methylazepan-1-yl]-2-phenyl-propan-1-ol (2R)-2-(methylamino)-3-[(2S)-2-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) 2.89 5.06 -30.78 3 3 1 37 277.432 5 ↓
Lo Low (pH 4.5-6) 2.89 6.1 -108.47 4 3 2 41 278.44 5 ↓

Analogs

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Popular Name: (1S,2R)-2-(azepan-1-yl)-1-(4-ethylphenyl)propan-1-amine (1S,2R)-2-(azepan-1-yl)-1-(4-eth…

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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) 2.11 8.38 -30.13 3 2 1 30 261.433 4 ↓
Mid Mid (pH 6-8) 2.11 8.69 -115.21 4 2 2 32 262.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(azepan-1-yl)-1-(4-ethylphenyl)propan-1-amine (1R,2R)-2-(azepan-1-yl)-1-(4-eth…

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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) 2.11 8.43 -30.09 3 2 1 30 261.433 4 ↓
Mid Mid (pH 6-8) 2.11 8.8 -126.08 4 2 2 32 262.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(azepan-1-yl)-1-(4-ethylphenyl)propan-1-amine (1S,2S)-2-(azepan-1-yl)-1-(4-eth…

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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) 2.11 8.47 -32.55 3 2 1 30 261.433 4 ↓
Mid Mid (pH 6-8) 2.11 8.79 -122.08 4 2 2 32 262.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(azepan-1-yl)-1-(4-ethylphenyl)propan-1-amine (1R,2S)-2-(azepan-1-yl)-1-(4-eth…

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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) 2.11 8.41 -28.84 3 2 1 30 261.433 4 ↓
Mid Mid (pH 6-8) 2.11 8.7 -115.51 4 2 2 32 262.441 4 ↓

Parameters Provided:

ring.id = 7307
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 = 7307 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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