UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-4-yl]ethanone 1-[2-(2,3-dihydro-1,4-benzodioxi…

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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) 2.43 4.99 -7.82 0 4 0 48 261.302 2 ↓

Analogs

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Popular Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]acetic acid 2-[2-(2,3-dihydro-1,4-benzodioxi…

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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) 1.96 -1.07 -54.92 0 5 -1 71 276.293 3 ↓

Analogs

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Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-thiazole-5-carboxylic 2-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.90 -1.34 -50.82 0 5 -1 71 290.32 3 ↓

Analogs

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Popular Name: N-(cyanomethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazole-4-carboxamide N-(cyanomethyl)-2-(2,3-dihydro-1…

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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) 1.51 3.28 -10.5 1 6 0 84 301.327 3 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-isopentyl-thiazole-4-carboxamide N-(2-cyanoethyl)-2-(2,3-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) 3.08 9.68 -10.76 0 6 0 75 385.489 7 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethylbutyl)thiazole-4-carboxamide N-(2-cyanoethyl)-2-(2,3-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) 3.56 10.37 -10.05 0 6 0 75 399.516 8 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,2-dimethylpropyl)thiazole-4-carboxamide N-(2-cyanoethyl)-2-(2,3-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) 3.13 9.67 -10.05 0 6 0 75 385.489 6 ↓

Analogs

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Popular Name: [2-(dimethylamino)-2-oxo-ethyl] [2-(dimethylamino)-2-oxo-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) 1.28 6.28 -16.24 0 7 0 78 348.38 5 ↓

Analogs

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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) 2.74 5.95 -9.28 0 5 0 58 291.328 4 ↓

Analogs

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Popular Name: 2-[2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-4-yl]acetic 2-[2-(8-chloro-2,3-dihydro-1,4-b…

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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) 2.76 6.58 -53.58 0 5 -1 71 310.738 3 ↓

Analogs

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Popular Name: 2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(chloromethyl)thiazole 2-(8-chloro-2,3-dihydro-1,4-benz…

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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) 3.91 6.32 -7.61 0 3 0 31 302.182 2 ↓

Analogs

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Popular Name: 2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)thiazole-4-carboxylic 2-(8-bromo-2,3-dihydro-1,4-benzo…

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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) 3.04 5.65 -55.01 0 5 -1 71 341.162 2 ↓

Analogs

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Popular Name: 2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(chloromethyl)thiazole 2-(8-bromo-2,3-dihydro-1,4-benzo…

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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) 4.04 6.44 -7.58 0 3 0 31 346.633 2 ↓

Analogs

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Popular Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-thiazole-5-carboxylic 2-(5-chloro-2,3-dihydro-1,4-benz…

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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) 3.13 6.3 -46.88 0 5 -1 71 310.738 2 ↓

Analogs

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Popular Name: 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-thiazole-5-carboxylic 2-(5-bromo-2,3-dihydro-1,4-benzo…

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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) 3.26 6.42 -46.99 0 5 -1 71 355.189 2 ↓

Parameters Provided:

ring.id = 5885
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 = 5885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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