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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: 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

Draw Identity 99% 90% 80% 70%

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 = 16188
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 = 16188 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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