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Analogs

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Popular Name: (5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-[(3R)-3-(dimethylamino)pyrrolidin-1-y (5-benzyl-4,6,7,8-tetrahydropyra…

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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) 1.79 10.77 -94.39 2 6 2 47 369.513 4 ↓
Hi High (pH 8-9.5) 1.79 6.28 -12.82 0 6 0 45 367.497 4 ↓
Mid Mid (pH 6-8) 1.79 8.68 -45.21 1 6 1 46 368.505 4 ↓

Analogs

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Popular Name: (5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-y (5-benzyl-4,6,7,8-tetrahydropyra…

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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) 1.79 10.76 -94.43 2 6 2 47 369.513 4 ↓
Hi High (pH 8-9.5) 1.79 6.27 -12.72 0 6 0 45 367.497 4 ↓
Mid Mid (pH 6-8) 1.79 8.68 -45.26 1 6 1 46 368.505 4 ↓

Analogs

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Popular Name: [(3S)-3-aminopyrrolidin-1-yl]-(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanon [(3S)-3-aminopyrrolidin-1-yl]-(5…

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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) 0.63 6.91 -103.62 4 6 2 70 341.459 3 ↓
Hi High (pH 8-9.5) 0.63 4.55 -12.95 2 6 0 67 339.443 3 ↓
Mid Mid (pH 6-8) 0.63 4.85 -55.34 3 6 1 69 340.451 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-aminopyrrolidin-1-yl]-(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanon [(3R)-3-aminopyrrolidin-1-yl]-(5…

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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) 0.63 6.9 -103.67 4 6 2 70 341.459 3 ↓
Hi High (pH 8-9.5) 0.63 4.62 -13.99 2 6 0 67 339.443 3 ↓
Mid Mid (pH 6-8) 0.63 4.85 -55.28 3 6 1 69 340.451 3 ↓

Parameters Provided:

ring.id = 398758
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 = 398758 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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