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Analogs

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Popular Name: (4R)-4-(1-tert-butylpyrazol-4-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-(1-tert-butylpyrazol-4-yl…

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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) 1.99 8.78 -21.62 3 7 0 86 309.377 2 ↓
Mid Mid (pH 6-8) 1.99 9.28 -40.25 4 7 1 88 310.385 2 ↓

Analogs

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Popular Name: (4S)-4-(1-tert-butylpyrazol-4-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-(1-tert-butylpyrazol-4-yl…

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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) 1.99 8.78 -21.69 3 7 0 86 309.377 2 ↓
Mid Mid (pH 6-8) 1.99 9.28 -40.25 4 7 1 88 310.385 2 ↓

Analogs

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Popular Name: 2-[4-[(4R)-2-amino-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl]-3,5-dimethyl-pyrazol-1-yl]et 2-[4-[(4R)-2-amino-3,4-dihydro-[…

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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) 0.62 3.66 -23.06 4 8 0 106 325.376 3 ↓
Mid Mid (pH 6-8) 0.62 4.18 -43.49 5 8 1 108 326.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4S)-2-amino-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl]-3,5-dimethyl-pyrazol-1-yl]et 2-[4-[(4S)-2-amino-3,4-dihydro-[…

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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) 0.62 5.51 -22.48 4 8 0 106 325.376 3 ↓
Mid Mid (pH 6-8) 0.62 6 -42.84 5 8 1 108 326.384 3 ↓

Parameters Provided:

ring.id = 124047
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 = 124047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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