UCSF
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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

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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: 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

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 ↓

Parameters Provided:

ring.id = 113871
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 = 113871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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