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

Analogs

2784324
2784324
4067847
4067847
2776080
2776080

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-4-(4-hydroxyphenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-ac (4S,7R)-4-(4-hydroxyphenyl)-5-ke…

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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) 6.14 12.93 -22.49 2 6 0 85 495.575 8 ↓

Analogs

2784324
2784324
2964485
2964485
2964490
2964490
4067847
4067847
2185596
2185596

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-4-(4-hydroxyphenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-ac (4R,7R)-4-(4-hydroxyphenyl)-5-ke…

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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) 6.14 12.93 -21.79 2 6 0 85 495.575 8 ↓

Analogs

2784324
2784324
2964485
2964485
2964490
2964490
4067847
4067847
2784240
2784240

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-4-(4-hydroxyphenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-ac (4S,7S)-4-(4-hydroxyphenyl)-5-ke…

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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) 6.14 12.94 -22.56 2 6 0 85 495.575 8 ↓

Analogs

2792809
2792809
2792810
2792810
2792812
2792812
4067847
4067847
2784321
2784321

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-4-(4-hydroxyphenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-ac (4R,7S)-4-(4-hydroxyphenyl)-5-ke…

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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) 6.14 12.94 -24.12 2 6 0 85 495.575 8 ↓

Analogs

2792810
2792810
2792811
2792811
2792812
2792812
2775768
2775768

Draw Identity 99% 90% 80% 70%

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

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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) 6.82 15.2 -19.91 1 6 0 74 527.592 9 ↓

Analogs

2792811
2792811
2792812
2792812
2775768
2775768

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-4-(3-fluorophenyl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-car (4R,7R)-4-(3-fluorophenyl)-5-ket…

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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) 6.82 15.18 -24.05 1 6 0 74 527.592 9 ↓

Analogs

2792812
2792812
2775768
2775768

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-4-(3-fluorophenyl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-car (4S,7S)-4-(3-fluorophenyl)-5-ket…

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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) 6.82 15.18 -19.79 1 6 0 74 527.592 9 ↓

Analogs

2775768
2775768

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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) 6.82 15.72 -27.02 1 6 0 74 527.592 9 ↓

Parameters Provided:

ring.id = 234890
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 = 234890 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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