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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)-N-carbamoyl-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)propanamide (2S)-N-carbamoyl-2-(5,7-dihydrob…

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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) 1.79 6.63 -43.79 4 5 1 77 310.377 2 ↓
Mid Mid (pH 6-8) 1.79 4.57 -19.08 3 5 0 75 309.369 2 ↓

Analogs

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Popular Name: (2R)-N-carbamoyl-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)propanamide (2R)-N-carbamoyl-2-(5,7-dihydrob…

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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) 1.79 6.72 -44.99 4 5 1 77 310.377 2 ↓
Mid Mid (pH 6-8) 1.79 4.59 -19.72 3 5 0 75 309.369 2 ↓

Analogs

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Popular Name: 1-[2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetyl]imidazolidin-2-one 1-[2-(5,7-dihydrobenzo[d][2]benz…

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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) 1.59 5.53 -11.34 1 5 0 53 321.38 2 ↓
Mid Mid (pH 6-8) 1.59 7.68 -31.59 2 5 1 54 322.388 2 ↓

Analogs

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Popular Name: N-carbamoyl-3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)propanamide N-carbamoyl-3-(5,7-dihydrobenzo[…

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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) 1.73 4.67 -19.34 3 5 0 75 309.369 3 ↓
Mid Mid (pH 6-8) 1.73 6.89 -56.27 4 5 1 77 310.377 3 ↓

Analogs

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Popular Name: 2,3-dihydro-1H-dinaphtho[2,1-c:1,2-e]azepine 2,3-dihydro-1H-dinaphtho[2,1-c:1…

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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) 5.15 -0.46 -46.37 2 1 1 16 296.393 0 ↓

Analogs

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Popular Name: 5-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)pentanenitrile 5-(5,7-dihydrobenzo[d][2]benzaze…

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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) 2.68 8.92 -15.96 0 4 0 61 340.448 5 ↓

Analogs

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Popular Name: N-[2-(1,2,4-triazol-1-yl)-3-pyridyl]-5,7-dihydrobenzo[d][2]benzazepine-6-carboxamide N-[2-(1,2,4-triazol-1-yl)-3-pyri…

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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) 2.69 13.32 -11.13 1 7 0 76 382.427 2 ↓

Analogs

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Popular Name: 5-chloro-4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-1H-pyridazin-6-one 5-chloro-4-(5,7-dihydrobenzo[d][…

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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) 3.48 6.35 -43.74 0 4 -1 52 322.775 1 ↓
Lo Low (pH 4.5-6) 3.03 7.77 -9.41 1 4 0 49 323.783 1 ↓

Analogs

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Popular Name: 2-[(1R)-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)ethyl]-5-methyl-1,3,4-oxadiazole 2-[(1R)-1-(5,7-dihydrobenzo[d][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) 2.07 4.16 -9.83 0 4 0 42 305.381 2 ↓
Mid Mid (pH 6-8) 2.07 6.27 -34.37 1 4 1 43 306.389 2 ↓

Analogs

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Popular Name: 2-[(1S)-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)ethyl]-5-methyl-1,3,4-oxadiazole 2-[(1S)-1-(5,7-dihydrobenzo[d][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) 2.07 4.04 -9.31 0 4 0 42 305.381 2 ↓
Mid Mid (pH 6-8) 2.07 6.22 -33.72 1 4 1 43 306.389 2 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydrobenzo[d][2]benzazepine-6-carboxamide N-[(1S)-1-(4-methyl-1,2,4-triazo…

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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 10.78 -12.53 1 6 0 63 347.422 2 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydrobenzo[d][2]benzazepine-6-carboxamide N-[(1R)-1-(4-methyl-1,2,4-triazo…

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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 10.8 -12.67 1 6 0 63 347.422 2 ↓

Analogs

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Popular Name: (2S)-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-2-methylsulfonyl-propan-1-one (2S)-1-(5,7-dihydrobenzo[d][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) 2.16 6.82 -23.45 0 4 0 54 329.421 2 ↓

Analogs

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Popular Name: (2R)-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-2-methylsulfonyl-propan-1-one (2R)-1-(5,7-dihydrobenzo[d][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) 2.16 7.07 -23.51 0 4 0 54 329.421 2 ↓

Analogs

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Popular Name: (1S,2R)-N-[3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-oxo-propyl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-[3-(5,7-dihydrobenzo[d…

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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) 3.25 9.72 -16.65 1 4 0 49 348.446 4 ↓

Analogs

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Popular Name: (1S,2S)-N-[3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-oxo-propyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[3-(5,7-dihydrobenzo[d…

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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) 3.25 9.66 -17.44 1 4 0 49 348.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-oxo-propyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-[3-(5,7-dihydrobenzo[d…

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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) 3.25 9.66 -17.47 1 4 0 49 348.446 4 ↓

Analogs

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Popular Name: (1R,2S)-N-[3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-oxo-propyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[3-(5,7-dihydrobenzo[d…

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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) 3.25 9.71 -16.65 1 4 0 49 348.446 4 ↓

Analogs

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Popular Name: N-[3-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-oxo-propyl]methanesulfonamide N-[3-(5,7-dihydrobenzo[d][2]benz…

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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) 1.83 5.21 -16.5 1 5 0 66 344.436 4 ↓

Analogs

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Popular Name: N-tert-butyl-2-[4-[2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetyl]piperazin-1-yl]acetamide N-tert-butyl-2-[4-[2-(5,7-dihydr…

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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) 3.11 9.63 -42.9 2 6 1 57 435.592 5 ↓
Mid Mid (pH 6-8) 3.11 7.48 -14.95 1 6 0 56 434.584 5 ↓

Analogs

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Popular Name: (2S)-N-(4-acetylphenyl)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)propanamide (2S)-N-(4-acetylphenyl)-2-(5,7-d…

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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) 4.11 12 -41.85 2 4 1 51 385.487 4 ↓
Hi High (pH 8-9.5) 4.11 9.97 -12.17 1 4 0 49 384.479 4 ↓

Analogs

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Popular Name: (2R)-N-(4-acetylphenyl)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)propanamide (2R)-N-(4-acetylphenyl)-2-(5,7-d…

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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) 4.11 12.12 -43.25 2 4 1 51 385.487 4 ↓
Hi High (pH 8-9.5) 4.11 10.09 -12.85 1 4 0 49 384.479 4 ↓

Analogs

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Popular Name: (2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(2-ethylanilino)-2-oxo-ethyl]-N-methyl-propanami (2R)-2-(5,7-dihydrobenzo[d][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) 4.79 13.92 -38.56 2 5 1 54 442.583 6 ↓
Mid Mid (pH 6-8) 4.79 12.02 -17.72 1 5 0 53 441.575 6 ↓

Analogs

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Popular Name: (2S)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(2-ethylanilino)-2-oxo-ethyl]-N-methyl-propanami (2S)-2-(5,7-dihydrobenzo[d][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) 4.79 14.02 -36.74 2 5 1 54 442.583 6 ↓
Mid Mid (pH 6-8) 4.79 11.91 -15.46 1 5 0 53 441.575 6 ↓

Analogs

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Popular Name: (2S)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (2S)-2-(5,7-dihydrobenzo[d][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) 4.37 11.77 -37.88 2 4 1 43 401.53 6 ↓
Mid Mid (pH 6-8) 4.37 9.71 -12.56 1 4 0 42 400.522 6 ↓

Analogs

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Popular Name: (2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (2R)-2-(5,7-dihydrobenzo[d][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) 4.37 11.93 -38.34 2 4 1 43 401.53 6 ↓
Mid Mid (pH 6-8) 4.37 9.89 -13.28 1 4 0 42 400.522 6 ↓

Parameters Provided:

ring.id = 167141
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 = 167141 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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