UCSF
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Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-3-methyl-isothiazolo[5,4-b]pyridine-5-carboxamide N-ethyl-N-(3-fluorophenyl)-3-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) 3.33 6.85 -11.55 0 4 0 46 315.373 3 ↓

Analogs

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Popular Name: (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methylisothiazolo[5,4-b]pyridin-5-yl) (3-ethyl-6,8-dihydro-5H-[1,2,4]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) 0.19 6.06 -16.85 0 7 0 77 328.401 2 ↓

Analogs

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Popular Name: (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methylisothiazolo[5,4-b]pyridin-5-yl (3-methyl-6,8-dihydro-5H-[1,2,4]…

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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) -0.38 5.45 -17.34 0 7 0 77 314.374 1 ↓

Analogs

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Popular Name: (8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methylisothiazolo[5,4-b]pyridin-5-yl)methanone (8-fluoro-3,4-dihydro-2H-quinoli…

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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) 3.44 7.6 -12.54 0 4 0 46 327.384 1 ↓

Analogs

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Popular Name: N,3-dimethyl-N-(4-nitrophenyl)isothiazolo[5,4-b]pyridine-5-carboxamide N,3-dimethyl-N-(4-nitrophenyl)is…

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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) 2.77 6.85 -14.66 0 7 0 92 328.353 3 ↓

Analogs

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Popular Name: N-cyclohexyl-N-cyclopropyl-3-methyl-isothiazolo[5,4-b]pyridine-5-carboxamide N-cyclohexyl-N-cyclopropyl-3-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) 2.91 6.41 -8.54 0 4 0 46 315.442 3 ↓

Analogs

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Popular Name: N-cyclopropyl-3-methyl-N-(2-thienylmethyl)isothiazolo[5,4-b]pyridine-5-carboxamide N-cyclopropyl-3-methyl-N-(2-thie…

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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) 2.30 7.44 -9.23 0 4 0 46 329.45 4 ↓

Analogs

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Popular Name: (3-methylisothiazolo[5,4-b]pyridin-5-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (3-methylisothiazolo[5,4-b]pyrid…

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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) 1.00 5.87 -16.57 0 6 0 64 327.413 2 ↓

Analogs

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Popular Name: (3-methylisothiazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (3-methylisothiazolo[5,4-b]pyrid…

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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) 1.00 5.9 -16.84 0 6 0 64 327.413 2 ↓

Analogs

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Popular Name: [(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]-(3-methylisothiazolo[5,4-b]pyridin-5-yl)methanone [(3S)-3-(2-methylimidazol-1-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) 0.80 7.58 -38.79 1 6 1 65 342.448 2 ↓
Mid Mid (pH 6-8) 0.80 7.11 -14.65 0 6 0 64 341.44 2 ↓

Analogs

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Popular Name: [(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]-(3-methylisothiazolo[5,4-b]pyridin-5-yl)methanone [(3R)-3-(2-methylimidazol-1-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) 0.80 7.59 -39.82 1 6 1 65 342.448 2 ↓
Mid Mid (pH 6-8) 0.80 7.12 -13.9 0 6 0 64 341.44 2 ↓

Analogs

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Popular Name: (3-isopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-methylisothiazolo[5,4-b]pyridin-5 (3-isopropyl-6,8-dihydro-5H-[1,2…

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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) 0.67 6.51 -16.62 0 7 0 77 342.428 2 ↓

Parameters Provided:

ring.id = 160737
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 = 160737 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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