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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: (2S)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N-(2-thienylmethyl)propan-1-amine (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) 3.66 9.16 -40.38 2 2 1 20 301.479 5 ↓
Mid Mid (pH 6-8) 3.66 9.46 -33.15 2 2 1 16 301.479 5 ↓
Lo Low (pH 4.5-6) 3.66 10.81 -121.66 3 2 2 21 302.487 5 ↓

Analogs

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Popular Name: (2R)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N-(2-thienylmethyl)propan-1-amine (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) 3.66 9.21 -39.44 2 2 1 20 301.479 5 ↓
Mid Mid (pH 6-8) 3.66 9.62 -33.35 2 2 1 16 301.479 5 ↓
Lo Low (pH 4.5-6) 3.66 10.82 -121.88 3 2 2 21 302.487 5 ↓

Analogs

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Popular Name: N-[(3-methyl-2-thienyl)methyl]-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine N-[(3-methyl-2-thienyl)methyl]-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) 3.71 9.39 -37.64 2 2 1 16 301.479 5 ↓
Lo Low (pH 4.5-6) 3.71 8.69 -43.72 2 2 1 20 301.479 5 ↓
Lo Low (pH 4.5-6) 3.71 10.76 -127.4 3 2 2 21 302.487 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine N-[(5-chloro-2-thienyl)methyl]-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) 4.14 9.46 -38.74 2 2 1 16 321.897 5 ↓
Lo Low (pH 4.5-6) 4.14 8.73 -48.19 2 2 1 20 321.897 5 ↓
Lo Low (pH 4.5-6) 4.14 10.8 -131.23 3 2 2 21 322.905 5 ↓

Analogs

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Popular Name: 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N-(2-thienylmethyl)ethanamine 2-(1,3,4,5-tetrahydro-2-benzazep…

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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) 3.34 8.84 -37.09 2 2 1 16 287.452 5 ↓
Lo Low (pH 4.5-6) 3.34 8.11 -43.85 2 2 1 20 287.452 5 ↓
Lo Low (pH 4.5-6) 3.34 10.18 -125 3 2 2 21 288.46 5 ↓

Analogs

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Popular Name: N-[(5-methyl-2-thienyl)methyl]-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine N-[(5-methyl-2-thienyl)methyl]-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) 3.56 9.67 -37.28 2 2 1 16 301.479 5 ↓
Lo Low (pH 4.5-6) 3.56 8.94 -43.6 2 2 1 20 301.479 5 ↓
Lo Low (pH 4.5-6) 3.56 11.02 -126.11 3 2 2 21 302.487 5 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine N-[(4-bromo-2-thienyl)methyl]-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) 4.07 9.45 -38.36 2 2 1 16 366.348 5 ↓
Lo Low (pH 4.5-6) 4.07 10.79 -129.32 3 2 2 21 367.356 5 ↓
Lo Low (pH 4.5-6) 4.07 8.72 -47.18 2 2 1 20 366.348 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-1-(2-thienyl)ethanamine (1S)-N-[2-(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) 3.89 9.5 -36.93 2 2 1 16 301.479 5 ↓
Lo Low (pH 4.5-6) 3.89 8.63 -40.78 2 2 1 20 301.479 5 ↓
Lo Low (pH 4.5-6) 3.89 10.71 -123.7 3 2 2 21 302.487 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-1-(2-thienyl)ethanamine (1R)-N-[2-(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) 3.89 9.53 -37.75 2 2 1 16 301.479 5 ↓
Lo Low (pH 4.5-6) 3.89 8.63 -40.89 2 2 1 20 301.479 5 ↓
Lo Low (pH 4.5-6) 3.89 10.72 -123.84 3 2 2 21 302.487 5 ↓

Parameters Provided:

ring.id = 315101
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 = 315101 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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