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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: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3S)-3-methylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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 4.24 -46.04 2 4 1 50 246.334 1 ↓
Lo Low (pH 4.5-6) 0.80 4.64 -88.56 3 4 2 51 247.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-methylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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 4.24 -49.59 2 4 1 50 246.334 1 ↓
Lo Low (pH 4.5-6) 0.80 4.64 -97.74 3 4 2 51 247.342 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3S)-3-ethylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.14 4.78 -55.97 2 4 1 50 260.361 2 ↓
Lo Low (pH 4.5-6) 1.14 5.18 -96.94 3 4 2 51 261.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-ethylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.14 4.74 -48.68 2 4 1 50 260.361 2 ↓
Lo Low (pH 4.5-6) 1.14 5.14 -95.94 3 4 2 51 261.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3S)-3-propylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.70 5.54 -56.35 2 4 1 50 274.388 3 ↓
Lo Low (pH 4.5-6) 1.70 5.94 -97.46 3 4 2 51 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-propylpyrrolidin-3-yl]methanone 7,8-dihydro-5H-1,6-naphthyridin-…

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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) 1.70 5.51 -48.96 2 4 1 50 274.388 3 ↓
Lo Low (pH 4.5-6) 1.70 5.91 -96.61 3 4 2 51 275.396 3 ↓

Parameters Provided:

ring.id = 301792
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 = 301792 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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