UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(1,4-benzodioxin-6-yl)-8-cyclopropyl-7-(1-naphthylmethyl)-5-oxo-thiazolo[3,2-a]pyridine-3-carboxyl 2-(1,4-benzodioxin-6-yl)-8-cyclo…

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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) 6.58 14.86 -79.6 0 6 -1 88 506.559 5 ↓

Analogs

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Popular Name: 8-cyclopropyl-2-(1H-indol-5-yl)-7-(1-naphthylmethyl)-5-oxo-thiazolo[3,2-a]pyridine-3-carboxylic 8-cyclopropyl-2-(1H-indol-5-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) 6.77 15.06 -89.99 1 5 -1 77 489.576 5 ↓

Analogs

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Popular Name: 8-cyclopropyl-2-(1-hydroxy-1-methyl-ethyl)-7-(1-naphthylmethyl)-5-oxo-thiazolo[3,2-a]pyridine-3-carb 8-cyclopropyl-2-(1-hydroxy-1-met…

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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) 5.04 12.81 -82.57 1 5 -1 82 432.521 5 ↓

Analogs

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Popular Name: 8-cyclopropyl-7-(1-naphthylmethyl)-5-oxo-2-phenyl-thiazolo[3,2-a]pyridine-3-carboxylic 8-cyclopropyl-7-(1-naphthylmethy…

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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) 6.57 16.9 -78.61 0 4 -1 62 450.539 5 ↓

Analogs

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Popular Name: 8-cyclopropyl-2-methyl-7-(1-naphthylmethyl)-5-oxo-thiazolo[3,2-a]pyridine-3-carboxylic 8-cyclopropyl-2-methyl-7-(1-naph…

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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) 4.87 13.94 -72.76 0 4 -1 62 388.468 4 ↓

Analogs

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Popular Name: 8-cyclopropyl-2-(4-methoxyphenyl)-7-(1-naphthylmethyl)-5-oxo-thiazolo[3,2-a]pyridine-3-carboxylic 8-cyclopropyl-2-(4-methoxyphenyl…

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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) 6.63 14.48 -82.04 0 5 -1 71 480.565 6 ↓

Analogs

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Popular Name: 8-cyclopropyl-2-(m-tolyl)-7-(1-naphthylmethyl)-5-oxo-thiazolo[3,2-a]pyridine-3-carboxylic 8-cyclopropyl-2-(m-tolyl)-7-(1-n…

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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) 7.00 17.53 -79.81 0 4 -1 62 464.566 5 ↓

Analogs

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Popular Name: 8-cyclopropyl-7-(1-naphthylmethyl)-5-oxo-2-(phenylcarbamoyl)thiazolo[3,2-a]pyridine-3-carboxylic 8-cyclopropyl-7-(1-naphthylmethy…

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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) 5.78 15.29 -85.74 1 6 -1 91 493.564 6 ↓

Analogs

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Popular Name: 2-benzoyl-8-cyclopropyl-7-(1-naphthylmethyl)-5-oxo-thiazolo[3,2-a]pyridine-3-carboxylic 2-benzoyl-8-cyclopropyl-7-(1-nap…

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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) 6.35 16.47 -88.07 0 5 -1 79 478.549 6 ↓

Analogs

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Popular Name: 2-benzyl-8-cyclopropyl-7-(1-naphthylmethyl)-5-oxo-thiazolo[3,2-a]pyridine-3-carboxylic 2-benzyl-8-cyclopropyl-7-(1-naph…

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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) 6.85 17.74 -78.25 0 4 -1 62 464.566 6 ↓

Analogs

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Popular Name: 8-cyclopropyl-N-methylsulfonyl-7-(1-naphthylmethyl)-5-oxo-2-phenyl-thiazolo[3,2-a]pyridine-3-carboxa 8-cyclopropyl-N-methylsulfonyl-7…

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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) 5.63 11.15 -77.51 0 6 -1 91 527.647 6 ↓

Analogs

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Popular Name: 8-cyclopropyl-2-(3-furyl)-7-(1-naphthylmethyl)-5-oxo-thiazolo[3,2-a]pyridine-3-carboxylic 8-cyclopropyl-2-(3-furyl)-7-(1-n…

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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) 5.52 13.05 -83.06 0 5 -1 75 440.5 5 ↓

Analogs

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Popular Name: 8-cyclopropyl-2-(2-furyl)-7-(1-naphthylmethyl)-5-oxo-thiazolo[3,2-a]pyridine-3-carboxylic 8-cyclopropyl-2-(2-furyl)-7-(1-n…

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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) 5.71 13.24 -87.33 0 5 -1 75 440.5 5 ↓

Parameters Provided:

ring.id = 188549
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 = 188549 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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