UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-ethylsulfonyl-acetamide N-(5-benzyl-6,7-dihydro-4H-thiaz…

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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) 1.67 6.68 -64.86 2 6 1 81 380.515 6 ↓
Mid Mid (pH 6-8) 1.67 4.4 -31.22 1 6 0 79 379.507 6 ↓

Analogs

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Popular Name: N-[2-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxo-ethyl]-2,2-dimethyl-propanam N-[2-[(5-benzyl-6,7-dihydro-4H-t…

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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) 3.40 8.54 -51.38 3 6 1 76 387.529 6 ↓
Hi High (pH 8-9.5) 3.22 7.46 -55.57 2 6 0 82 386.521 6 ↓
Mid Mid (pH 6-8) 3.40 6.14 -14.96 2 6 0 74 386.521 6 ↓

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Popular Name: ethyl ethyl

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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) 2.53 6.93 -7.37 0 4 0 42 302.399 5 ↓
Mid Mid (pH 6-8) 2.53 9.19 -48.6 1 4 1 44 303.407 5 ↓

Analogs

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Popular Name: N-(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-methoxy-acetamide N-(5-benzyl-6,7-dihydro-4H-thiaz…

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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) 1.88 8.09 -52.05 2 5 1 56 318.422 5 ↓
Mid Mid (pH 6-8) 1.88 5.82 -17.54 1 5 0 54 317.414 5 ↓

Analogs

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Popular Name: 3-(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-1,1-diethyl-urea 3-(5-benzyl-6,7-dihydro-4H-thiaz…

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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) 3.22 10.82 -49.17 2 5 1 50 345.492 5 ↓
Hi High (pH 8-9.5) 3.22 8.54 -14.86 1 5 0 48 344.484 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.36 9.12 -45.6 1 4 1 44 303.407 5 ↓
Mid Mid (pH 6-8) 2.36 6.83 -10.85 0 4 0 42 302.399 5 ↓

Parameters Provided:

ring.id = 37256
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 = 37256 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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