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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: N-[2-oxo-2-(prop-2-ynylamino)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxami N-[2-oxo-2-(prop-2-ynylamino)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) 2.63 6.41 -13.89 2 6 0 76 350.422 5 ↓
Lo Low (pH 4.5-6) 2.63 6.88 -28.05 3 6 1 77 351.43 5 ↓

Analogs

70451320
70451320

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Popular Name: 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylic acid 3-phenyl-6,7,8,9-tetrahydro-5H-i…

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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 7.94 -66.85 0 4 -1 58 255.297 2 ↓
Mid Mid (pH 6-8) 3.25 8.37 -34.56 1 4 0 59 256.305 2 ↓

Analogs

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Popular Name: (4-propylpiperazin-1-yl)-[3-(p-tolyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanone (4-propylpiperazin-1-yl)-[3-(p-t…

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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) 4.33 10.84 -9.28 0 5 0 41 380.536 4 ↓

Analogs

25105677
25105677

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Popular Name: [3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methano [3-(3-fluorophenyl)-6,7,8,9-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) 4.02 10.22 -8.48 0 5 0 41 384.499 4 ↓

Analogs

25105677
25105677
15679067
15679067
15679095
15679095

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Popular Name: (4-ethylpiperazin-1-yl)-[3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanon (4-ethylpiperazin-1-yl)-[3-(3-fl…

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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) 3.52 9.48 -8.58 0 5 0 41 370.472 3 ↓

Analogs

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Popular Name: [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methano [3-(4-chlorophenyl)-6,7,8,9-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) 4.56 10.68 -8.64 0 5 0 41 400.954 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-ethylpiperazin-1-yl)methanon [3-(4-chlorophenyl)-6,7,8,9-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) 4.06 9.93 -8.81 0 5 0 41 386.927 3 ↓

Analogs

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Popular Name: N-[(2-nitrophenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide N-[(2-nitrophenyl)methyl]-3-phen…

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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) 4.18 11.22 -17.01 1 7 0 93 390.443 5 ↓
Lo Low (pH 4.5-6) 4.18 11.71 -30.8 2 7 1 94 391.451 5 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]aze 3-(4-fluorophenyl)-N-[[4-[(1S)-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) 4.00 8.68 -11.35 2 5 0 67 407.489 5 ↓
Lo Low (pH 4.5-6) 4.00 9.25 -32.36 3 5 1 68 408.497 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-N-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]aze 3-(4-fluorophenyl)-N-[[4-[(1R)-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) 4.00 8.65 -11.29 2 5 0 67 407.489 5 ↓
Lo Low (pH 4.5-6) 4.00 9.22 -33.36 3 5 1 68 408.497 5 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5 3-(4-fluorophenyl)-N-[(1R)-1-(3-…

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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) 3.07 6.72 -11.24 1 7 0 86 383.427 4 ↓
Lo Low (pH 4.5-6) 3.07 7.19 -33.67 2 7 1 87 384.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5 3-(4-fluorophenyl)-N-[(1S)-1-(3-…

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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) 3.07 6.72 -11.18 1 7 0 86 383.427 4 ↓
Lo Low (pH 4.5-6) 3.07 7.19 -33.53 2 7 1 87 384.435 4 ↓

Analogs

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Popular Name: N-[[2-(hydroxymethyl)phenyl]methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxami N-[[2-(hydroxymethyl)phenyl]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) 3.56 7.89 -11.13 2 5 0 67 375.472 5 ↓
Mid Mid (pH 6-8) 3.56 8.38 -29.49 3 5 1 68 376.48 5 ↓

Analogs

41515778
41515778

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Popular Name: (2S)-2-(4-methylthiazol-2-yl)-3-oxo-3-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)prop (2S)-2-(4-methylthiazol-2-yl)-3-…

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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) 3.46 10.72 -11.91 0 5 0 72 376.485 4 ↓

Analogs

41515776
41515776

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Popular Name: (2R)-2-(4-methylthiazol-2-yl)-3-oxo-3-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)prop (2R)-2-(4-methylthiazol-2-yl)-3-…

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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) 3.46 10.72 -11.94 0 5 0 72 376.485 4 ↓

Analogs

25049029
25049029

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Popular Name: N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine- N-[[4-(difluoromethoxy)phenyl]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) 5.13 12.64 -14.16 0 5 0 47 425.479 6 ↓

Analogs

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Popular Name: N-[2-(isopropylamino)-2-oxo-ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamid N-[2-(isopropylamino)-2-oxo-ethy…

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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) 3.15 6.73 -14.16 2 6 0 76 354.454 5 ↓
Mid Mid (pH 6-8) 3.15 7.19 -27.29 3 6 1 77 355.462 5 ↓

Analogs

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Popular Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxami N-[2-(tert-butylamino)-2-oxo-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) 3.66 7.22 -13.51 2 6 0 76 368.481 5 ↓

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1 N-[2-(cyclopropylamino)-2-oxo-et…

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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) 3.09 9.67 -16.89 1 6 0 67 366.465 5 ↓

Analogs

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Popular Name: 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide 3-phenyl-6,7,8,9-tetrahydro-5H-i…

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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) 2.49 5.1 -9.76 2 4 0 61 255.321 2 ↓
Lo Low (pH 4.5-6) 2.49 5.57 -28.27 3 4 1 62 256.329 2 ↓

Parameters Provided:

ring.id = 16189
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 = 16189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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