UCSF
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Popular Name: (2S)-2-(5-methyl-1H-benzimidazol-2-yl)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)pyrrol (2S)-2-(5-methyl-1H-benzimidazol…

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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) 3.07 6.66 -13.1 2 7 0 77 396.52 2 ↓
Mid Mid (pH 6-8) 3.07 9.39 -52.89 3 7 1 78 397.528 2 ↓
Mid Mid (pH 6-8) 3.07 7.08 -32.17 3 7 1 78 397.528 2 ↓

Analogs

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Popular Name: (2R)-2-(5-methyl-1H-benzimidazol-2-yl)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)pyrrol (2R)-2-(5-methyl-1H-benzimidazol…

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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) 3.07 6.52 -14.33 2 7 0 77 396.52 2 ↓
Mid Mid (pH 6-8) 3.07 7.19 -31.88 3 7 1 78 397.528 2 ↓
Mid Mid (pH 6-8) 3.07 9.26 -52.39 3 7 1 78 397.528 2 ↓

Parameters Provided:

ring.id = 176954
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 = 176954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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