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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-ethyl-3-piperidyl]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) 1.06 5.36 -53.36 2 4 1 50 274.388 2 ↓
Lo Low (pH 4.5-6) 1.06 5.76 -96.62 3 4 2 51 275.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-ethyl-3-piperidyl]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) 1.06 5.42 -44.71 2 4 1 50 274.388 2 ↓
Lo Low (pH 4.5-6) 1.06 5.8 -96.33 3 4 2 51 275.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3S)-3-methyl-3-piperidyl]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) 0.72 5.03 -38.05 2 4 1 50 260.361 1 ↓
Lo Low (pH 4.5-6) 0.72 5.42 -80.83 3 4 2 51 261.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-methyl-3-piperidyl]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) 0.72 4.84 -43.51 2 4 1 50 260.361 1 ↓
Lo Low (pH 4.5-6) 0.72 5.24 -97.11 3 4 2 51 261.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3S)-3-propyl-3-piperidyl]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) 1.62 6.12 -53.68 2 4 1 50 288.415 3 ↓
Lo Low (pH 4.5-6) 1.62 6.52 -97.17 3 4 2 51 289.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-dihydro-5H-1,6-naphthyridin-6-yl-[(3R)-3-propyl-3-piperidyl]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) 1.62 6.18 -44.93 2 4 1 50 288.415 3 ↓
Lo Low (pH 4.5-6) 1.62 6.57 -96.96 3 4 2 51 289.423 3 ↓

Parameters Provided:

ring.id = 292064
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 = 292064 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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