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

Analogs

8817853
8817853

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-cyano-5-hydroxy-4-(4-isopropylphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(3-methoxyph 2-[[3-cyano-5-hydroxy-4-(4-isopr…

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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) 5.46 12.48 -26.55 1 6 0 92 487.625 7 ↓

Analogs

4075154
4075154
4075155
4075155

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Popular Name: (4R,4aR)-4-(1-ethyl-5-methyl-pyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridyl)-5-oxo-4a,6,7,8-tetrahydro (4R,4aR)-4-(1-ethyl-5-methyl-pyr…

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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) 2.43 9.55 -17.06 1 7 0 89 405.502 4 ↓
Mid Mid (pH 6-8) 2.59 9.58 -15.82 1 7 0 89 405.502 4 ↓

Analogs

36158484
36158484
36158502
36158502
4010075
4010075
4010077
4010077
4138252
4138252

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Popular Name: O3-isopropyl O3-isopropyl

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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) 3.38 11.87 -21.65 0 7 0 95 401.459 6 ↓
Mid Mid (pH 6-8) 3.54 10.3 -9.94 0 7 0 95 401.459 6 ↓

Analogs

36158502
36158502
4010075
4010075
4010077
4010077
4138252
4138252
4138255
4138255

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Popular Name: O3-isopropyl O3-isopropyl

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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) 3.38 12.03 -14 0 7 0 95 401.459 6 ↓
Mid Mid (pH 6-8) 3.54 11.56 -18.41 0 7 0 95 401.459 6 ↓

Analogs

4010075
4010075
4010077
4010077
4138252
4138252
4138255
4138255
36158480
36158480

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Popular Name: O3-isopropyl O3-isopropyl

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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) 3.38 11.9 -18.17 0 7 0 95 401.459 6 ↓
Mid Mid (pH 6-8) 3.54 10.14 -9.27 0 7 0 95 401.459 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzoyl-2,7,7-trimethyl-4-phenyl-4,6,7,8-tetrahydro-5(1H)-quinolinone 3-benzoyl-2,7,7-trimethyl-4-phen…

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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) 5.37 -0.2 -13.84 0 3 0 46 371.48 3 ↓
Mid Mid (pH 6-8) 5.53 -1.25 -11.04 0 3 0 46 371.48 3 ↓

Analogs

4167896
4167896

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Popular Name: 4-(2-bromophenyl)-2-methyl-N-[2-(methyloxy)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 4-(2-bromophenyl)-2-methyl-N-[2-…

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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) 4.67 -2.4 -16.22 1 5 0 67 467.363 4 ↓
Mid Mid (pH 6-8) 4.67 -2.95 -12.87 1 5 0 67 467.363 4 ↓
Mid Mid (pH 6-8) 4.83 -4 -11.93 1 5 0 67 467.363 4 ↓

Analogs

4167893
4167893

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-bromophenyl)-2-methyl-N-[2-(methyloxy)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 4-(2-bromophenyl)-2-methyl-N-[2-…

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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) 4.67 -2.41 -15.74 1 5 0 67 467.363 4 ↓
Mid Mid (pH 6-8) 4.67 -3.12 -11.77 1 5 0 67 467.363 4 ↓
Mid Mid (pH 6-8) 4.83 -4.28 -11.26 1 5 0 67 467.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-hydroxy-2-methyl-4,6,7,8-tetrahydroquinolin-3-yl]-(1-piperi [4-(3-bromo-5-ethoxy-4-hydroxy-p…

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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) 4.51 -4.63 -16.18 1 6 0 79 489.41 4 ↓
Mid Mid (pH 6-8) 4.67 -5.84 -15.03 1 6 0 79 489.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-hydroxy-2-methyl-4,6,7,8-tetrahydroquinolin-3-yl]-(1-piperi [4-(3-bromo-5-ethoxy-4-hydroxy-p…

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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) 4.51 -4.75 -17.96 1 6 0 79 489.41 4 ↓
Mid Mid (pH 6-8) 4.67 -6.35 -14.54 1 6 0 79 489.41 4 ↓

Analogs

6015316
6015316
6015363
6015363

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2,3-bis(methyloxy)phenyl]-2,7,7-trimethyl-N-[2-(methyloxy)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 4-[2,3-bis(methyloxy)phenyl]-2,7…

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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) 4.38 -1.27 -18.57 1 7 0 86 476.573 6 ↓
Mid Mid (pH 6-8) 4.38 -1.71 -19.93 1 7 0 86 476.573 6 ↓
Mid Mid (pH 6-8) 4.54 -2.82 -16.13 1 7 0 86 476.573 6 ↓

Analogs

4168190
4168190

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-isopropoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(2-isopropoxyphenyl)-N-(2-meth…

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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) 4.65 -1.39 -16.46 1 6 0 77 446.547 6 ↓
Mid Mid (pH 6-8) 4.65 -2.02 -13.4 1 6 0 77 446.547 6 ↓
Mid Mid (pH 6-8) 4.82 -3.16 -12.19 1 6 0 77 446.547 6 ↓

Analogs

4168187
4168187

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-isopropoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(2-isopropoxyphenyl)-N-(2-meth…

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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) 4.65 -1.14 -15.79 1 6 0 77 446.547 6 ↓
Mid Mid (pH 6-8) 4.82 -2.84 -11.73 1 6 0 77 446.547 6 ↓

Analogs

4168318
4168318

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Popular Name: 4-(2-chlorophenyl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(2-chlorophenyl)-N-(3-fluoroph…

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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) 4.67 -1.32 -15.03 1 4 0 58 410.876 3 ↓
Mid Mid (pH 6-8) 4.83 -3.1 -11.04 1 4 0 58 410.876 3 ↓

Analogs

4168316
4168316

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Popular Name: 4-(2-chlorophenyl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(2-chlorophenyl)-N-(3-fluoroph…

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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) 4.67 -1.39 -15.46 1 4 0 58 410.876 3 ↓
Mid Mid (pH 6-8) 4.67 -2 -11.91 1 4 0 58 410.876 3 ↓
Mid Mid (pH 6-8) 4.83 -2.96 -11.85 1 4 0 58 410.876 3 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-5-hydroxy-2-methyl-4-(2-thienyl)-4,6,7,8-tetrahydroquinoline-3-carboxamide N-(2-fluorophenyl)-5-hydroxy-2-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) 3.91 -2.48 -13.47 1 4 0 58 382.46 3 ↓
Mid Mid (pH 6-8) 4.08 -4.27 -10.19 1 4 0 58 382.46 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-5-hydroxy-2-methyl-4-(2-thienyl)-4,6,7,8-tetrahydroquinoline-3-carboxamide N-(2-fluorophenyl)-5-hydroxy-2-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) 3.91 -2.44 -13.99 1 4 0 58 382.46 3 ↓
Mid Mid (pH 6-8) 4.08 -4.2 -10.42 1 4 0 58 382.46 3 ↓

Analogs

4169922
4169922
8973168
8973168
8973170
8973170

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[(3-cyano-5-hydroxy-4-isobutyl-4,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamid N-(4-bromophenyl)-2-[(3-cyano-5-…

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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) 4.68 -1.87 -22.92 1 5 0 82 474.424 6 ↓
Mid Mid (pH 6-8) 5.06 -2.65 -19.26 1 5 0 82 474.424 6 ↓
Mid Mid (pH 6-8) 5.22 -3.26 -19.04 1 5 0 82 474.424 6 ↓

Analogs

8973168
8973168
8973170
8973170
4169918
4169918

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[(3-cyano-5-hydroxy-4-isobutyl-4,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamid N-(4-bromophenyl)-2-[(3-cyano-5-…

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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) 4.68 -2.4 -23.33 1 5 0 82 474.424 6 ↓
Mid Mid (pH 6-8) 5.06 -2.77 -19.15 1 5 0 82 474.424 6 ↓
Mid Mid (pH 6-8) 5.22 -3.28 -19.16 1 5 0 82 474.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS)-4a,6,7,8-tetrahydro-4H-quinolin-5-one (4aS)-4a,6,7,8-tetrahydro-4H-qui…

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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) 1.01 4.27 -5.27 0 2 0 29 149.193 0 ↓
Mid Mid (pH 6-8) 1.39 4.33 -6.5 0 2 0 29 149.193 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR)-4a,6,7,8-tetrahydro-4H-quinolin-5-one (4aR)-4a,6,7,8-tetrahydro-4H-qui…

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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) 1.01 4.27 -5.27 0 2 0 29 149.193 0 ↓
Mid Mid (pH 6-8) 1.39 4.33 -6.5 0 2 0 29 149.193 0 ↓

Parameters Provided:

ring.id = 1343
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 = 1343 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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