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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 8-methyl-2-(trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b]-1,6-naphthyridin-10(2H)-one 8-methyl-2-(trifluoroacetyl)-1,3…

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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) 1.55 6.56 -15.95 1 4 0 53 310.275 1 ↓

Analogs

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Popular Name: 8-fluoro-2-(trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b]-1,6-naphthyridin-10(2H)-one 8-fluoro-2-(trifluoroacetyl)-1,3…

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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) 0.30 5.96 -17.43 1 4 0 53 314.238 1 ↓

Analogs

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Popular Name: 7-chloro-6-methyl-2-(trifluoroacetyl)-1H,2H,3H,4H,5H,10H-benzo[b]1,6-naphthyridin-10-one 7-chloro-6-methyl-2-(trifluoroac…

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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) 2.16 7.09 -13.41 1 4 0 53 344.72 1 ↓

Analogs

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Popular Name: 8-ethyl-2-(trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10(2H)-one 8-ethyl-2-(trifluoroacetyl)-1,3,…

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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) 2.02 7.32 -15.85 1 4 0 53 324.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-6-fluoro-2-(trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10(2H)-one 7-chloro-6-fluoro-2-(trifluoroac…

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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 6.48 -10.66 1 4 0 53 348.683 1 ↓
Hi High (pH 8-9.5) 3.18 5.1 -32.58 0 4 -1 56 347.675 1 ↓

Analogs

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Popular Name: 8-chloro-2-(trifluoroacetyl)-1H,2H,3H,4H,5H,10H-benzo[b]1,6-naphthyridin-10-one 8-chloro-2-(trifluoroacetyl)-1H,…

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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) 1.78 6.4 -16.39 1 4 0 53 330.693 1 ↓

Analogs

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Popular Name: 8-methoxy-6-methyl-2-(trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10(2H)-one 8-methoxy-6-methyl-2-(trifluoroa…

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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) 1.54 5.95 -18.04 1 5 0 62 340.301 2 ↓

Analogs

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Popular Name: N-cyclohexyl-2-(8-fluoro-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide N-cyclohexyl-2-(8-fluoro-10-oxo-…

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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) 1.56 6.33 -27.08 2 5 0 65 357.429 3 ↓
Mid Mid (pH 6-8) 2.86 7.18 -55.65 2 5 0 69 357.429 3 ↓
Mid Mid (pH 6-8) 1.56 8.55 -60.69 3 5 1 66 358.437 3 ↓

Analogs

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Popular Name: N-cyclopentyl-2-(8-fluoro-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide N-cyclopentyl-2-(8-fluoro-10-oxo…

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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) 1.06 8.03 -60.47 3 5 1 66 344.41 3 ↓
Mid Mid (pH 6-8) 1.06 5.81 -26.55 2 5 0 65 343.402 3 ↓

Analogs

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Popular Name: 2-(8-fluoro-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(p-tolylmethyl)acetamide 2-(8-fluoro-10-oxo-1,3,4,5-tetra…

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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 7.31 -26.21 2 5 0 65 379.435 4 ↓
Mid Mid (pH 6-8) 2.81 8.19 -54.3 2 5 0 69 379.435 4 ↓
Mid Mid (pH 6-8) 1.51 9.54 -60.4 3 5 1 66 380.443 4 ↓

Analogs

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Popular Name: 2-(8-fluoro-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-[(4-methoxyphenyl)methyl]acet 2-(8-fluoro-10-oxo-1,3,4,5-tetra…

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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) 1.11 5.94 -27.12 2 6 0 74 395.434 5 ↓
Mid Mid (pH 6-8) 2.41 6.81 -55.48 2 6 0 79 395.434 5 ↓
Mid Mid (pH 6-8) 1.11 8.16 -62.12 3 6 1 76 396.442 5 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(8-fluoro-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)a N-(1,3-benzodioxol-5-ylmethyl)-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) 0.95 5.3 -28.08 2 7 0 84 409.417 4 ↓
Mid Mid (pH 6-8) 2.25 6.17 -57.43 2 7 0 88 409.417 4 ↓
Mid Mid (pH 6-8) 0.95 7.52 -64.59 3 7 1 85 410.425 4 ↓

Parameters Provided:

ring.id = 503040
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 = 503040 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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