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

Analogs

2796795
2796795
2796932
2796932
2796933
2796933

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Popular Name: (4S)-4-(4-chloro-3-nitro-phenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinoli (4S)-4-(4-chloro-3-nitro-phenyl)…

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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) 4.03 9.97 -29.47 1 8 0 104 459.93 3 ↓

Analogs

2796932
2796932
2796933
2796933
2796794
2796794

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Popular Name: (4R)-4-(4-chloro-3-nitro-phenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinoli (4R)-4-(4-chloro-3-nitro-phenyl)…

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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) 4.03 10 -28.77 1 8 0 104 459.93 3 ↓

Analogs

2796842
2796842
815983
815983

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Popular Name: (4S)-4-(5-bromo-2-fluoro-phenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinoli (4S)-4-(5-bromo-2-fluoro-phenyl)…

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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) 3.89 9.45 -21.6 1 5 0 59 477.374 2 ↓

Analogs

2796841
2796841

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Popular Name: (4R)-4-(5-bromo-2-fluoro-phenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinoli (4R)-4-(5-bromo-2-fluoro-phenyl)…

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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) 3.89 9.71 -21.31 1 5 0 59 477.374 2 ↓

Analogs

2796933
2796933
2796794
2796794

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Popular Name: (4S)-4-(4-chloro-3-nitro-phenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5 (4S)-4-(4-chloro-3-nitro-phenyl)…

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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) 3.37 9.19 -29.88 1 8 0 104 431.876 3 ↓

Analogs

2796794
2796794

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-chloro-3-nitro-phenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5 (4R)-4-(4-chloro-3-nitro-phenyl)…

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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) 3.37 9.06 -29.59 1 8 0 104 431.876 3 ↓

Analogs

2796965
2796965
2797124
2797124

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(3-nitrophenyl)-1,4,6,8-tetrahydroquinolin-5-one (4S)-2,7,7-trimethyl-3-(morpholi…

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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) 3.40 9.59 -30.78 1 8 0 104 425.485 3 ↓

Analogs

2797124
2797124
1131807
1131807

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(3-nitrophenyl)-1,4,6,8-tetrahydroquinolin-5-one (4R)-2,7,7-trimethyl-3-(morpholi…

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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) 3.40 9.86 -30.03 1 8 0 104 425.485 3 ↓

Analogs

2797124
2797124

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(4-nitrophenyl)-1,4,6,8-tetrahydroquinolin-5-one (4S)-2,7,7-trimethyl-3-(morpholi…

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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) 3.42 9.6 -24.71 1 8 0 104 425.485 3 ↓

Analogs

1124527
1124527

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-4-(4-nitrophenyl)-1,4,6,8-tetrahydroquinolin-5-one (4R)-2,7,7-trimethyl-3-(morpholi…

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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) 3.42 9.87 -24.33 1 8 0 104 425.485 3 ↓

Analogs

19901258
19901258
20028860
20028860

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-hydroxyphenyl)-2,7,7-trimethyl-3-(4-morpholinylcarbonyl)-4,6,7,8-tetrahydro-5(1H)-quinolinone 4-(3-hydroxyphenyl)-2,7,7-trimet…

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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) 2.96 5.94 -23.39 2 6 0 79 396.487 2 ↓
Mid Mid (pH 6-8) 3.08 -6.03 -14.53 1 6 0 79 396.487 2 ↓

Parameters Provided:

ring.id = 239978
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 = 239978 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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