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Analogs

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Popular Name: 4-(3,7-dimethyl-3,7,10-triazaspiro[5.5]undecane-10-carbonyl)benzenesulfonamide 4-(3,7-dimethyl-3,7,10-triazaspi…

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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) -0.02 1.5 -43.88 3 7 1 88 367.495 2 ↓
Lo Low (pH 4.5-6) -0.02 3.71 -113.5 4 7 2 89 368.503 2 ↓

Analogs

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Popular Name: (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(2-ethylphenyl)methanone (1,9-dimethyl-1,4,9-triazaspiro[…

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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) 2.15 8.99 -37.5 1 4 1 28 316.469 2 ↓
Lo Low (pH 4.5-6) 2.15 10.12 -105.66 2 4 2 29 317.477 2 ↓

Analogs

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Popular Name: (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(2-hydroxy-3-methyl-phenyl)methanone (1,9-dimethyl-1,4,9-triazaspiro[…

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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) 1.97 5.89 -37.78 2 5 1 48 318.441 1 ↓
Hi High (pH 8-9.5) 1.97 6.7 -65.69 1 5 0 51 317.433 1 ↓
Lo Low (pH 4.5-6) 1.97 7.12 -113.41 3 5 2 49 319.449 1 ↓

Analogs

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Popular Name: (2,4-difluoro-3-methoxy-phenyl)-(3,7-dimethyl-3,7,10-triazaspiro[5.5]undecan-10-yl)methanone (2,4-difluoro-3-methoxy-phenyl)-…

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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) 1.53 7.24 -41.64 1 5 1 37 354.421 2 ↓
Lo Low (pH 4.5-6) 1.53 8.36 -119.86 2 5 2 38 355.429 2 ↓

Parameters Provided:

ring.id = 526199
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 = 526199 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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