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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: 2-amino-1-(2-chlorophenyl)-4-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-1-(2-chlorophenyl)-4-{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) 6.42 4.26 -18.68 2 6 0 88 558.053 6 ↓

Analogs

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Popular Name: 2-amino-1-(2-chlorophenyl)-4-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 2-amino-1-(2-chlorophenyl)-4-{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) 6.42 4.14 -20.61 2 6 0 88 558.053 6 ↓

Analogs

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Popular Name: 2-amino-1-(3-bromophenyl)-4-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-1-(3-bromophenyl)-4-{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) 5.92 2.65 -20.09 2 6 0 88 574.45 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-1-(3-bromophenyl)-4-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-1-(3-bromophenyl)-4-{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) 5.92 2.67 -19.99 2 6 0 88 574.45 6 ↓

Analogs

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Popular Name: 2-amino-4-{3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl}-1-{3-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-{3-[(4-ethylphenoxy)me…

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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) 6.47 4.46 -25.15 2 9 0 134 578.669 8 ↓

Analogs

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Popular Name: 2-amino-4-{3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl}-1-{3-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-{3-[(4-ethylphenoxy)me…

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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) 6.47 4.49 -26.55 2 9 0 134 578.669 8 ↓

Analogs

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Popular Name: 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-1-{5-nitro-2-methylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-{3-[(4-chlorophenoxy)m…

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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) 6.64 4.49 -23.46 2 9 0 134 599.087 7 ↓

Analogs

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Popular Name: 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-1-{5-nitro-2-methylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-amino-4-{3-[(4-chlorophenoxy)m…

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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) 6.64 4.41 -23.51 2 9 0 134 599.087 7 ↓

Parameters Provided:

ring.id = 231703
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 = 231703 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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