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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2788584
2788584
2788585
2788585
2788586
2788586
2806062
2806062
2806063
2806063

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-3-(2-isopropoxyethoxycarbonyl)-7-(2-methoxyphenyl)-2-methyl-4-(3-thienyl)-4,6,7,8-tetrahydro (4S,7R)-3-(2-isopropoxyethoxycar…

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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) 4.22 12.74 -17.86 1 6 0 74 481.614 9 ↓

Analogs

2788585
2788585
2788586
2788586
2806062
2806062
2806063
2806063
2806064
2806064

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-3-(2-isopropoxyethoxycarbonyl)-7-(2-methoxyphenyl)-2-methyl-4-(3-thienyl)-4,6,7,8-tetrahydro (4R,7R)-3-(2-isopropoxyethoxycar…

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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) 4.22 12.76 -17.73 1 6 0 74 481.614 9 ↓

Analogs

2788586
2788586
2806062
2806062
2806063
2806063
2806064
2806064
2806065
2806065

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-3-(2-isopropoxyethoxycarbonyl)-7-(2-methoxyphenyl)-2-methyl-4-(3-thienyl)-4,6,7,8-tetrahydro (4S,7S)-3-(2-isopropoxyethoxycar…

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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) 4.22 12.75 -18.42 1 6 0 74 481.614 9 ↓

Analogs

2806062
2806062
2806063
2806063
2806064
2806064
2806065
2806065
2788583
2788583

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-3-(2-isopropoxyethoxycarbonyl)-7-(2-methoxyphenyl)-2-methyl-4-(3-thienyl)-4,6,7,8-tetrahydro (4R,7S)-3-(2-isopropoxyethoxycar…

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Activity (Go SEA)

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) 4.22 12.75 -17.47 1 6 0 74 481.614 9 ↓

Analogs

2788583
2788583

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-5-keto-7-(2-methoxyphenyl)-2-methyl-4-(3-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxyl (4S,7R)-5-keto-7-(2-methoxypheny…

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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) 3.48 10.61 -19.08 1 6 0 74 453.56 8 ↓

Analogs

2788583
2788583

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-5-keto-7-(2-methoxyphenyl)-2-methyl-4-(3-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxyl (4R,7R)-5-keto-7-(2-methoxypheny…

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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) 3.48 10.61 -19.09 1 6 0 74 453.56 8 ↓

Analogs

2788583
2788583

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-5-keto-7-(2-methoxyphenyl)-2-methyl-4-(3-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxyl (4S,7S)-5-keto-7-(2-methoxypheny…

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Activity (Go SEA)

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) 3.48 10.6 -19.49 1 6 0 74 453.56 8 ↓

Analogs

2776174
2776174

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-5-keto-7-(2-methoxyphenyl)-2-methyl-4-(3-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxyl (4R,7S)-5-keto-7-(2-methoxypheny…

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Activity (Go SEA)

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) 3.48 10.61 -18.67 1 6 0 74 453.56 8 ↓

Parameters Provided:

ring.id = 236269
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 = 236269 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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