Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_6ubudqvj2snr98980msm6pgsc4, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2788627
2788627
2788628
2788628
2788629
2788629
19928509
19928509
19928514
19928514

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-propyl- (4R,7S)-5-keto-2-methyl-4,7-bis(…

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) 4.77 12.74 -17.26 1 4 0 55 413.564 6 ↓

Analogs

2788628
2788628
2788629
2788629
19928509
19928509
19928514
19928514
19928517
19928517

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-propyl- (4S,7S)-5-keto-2-methyl-4,7-bis(…

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) 4.77 12.75 -17.04 1 4 0 55 413.564 6 ↓

Analogs

2788629
2788629
19928509
19928509
19928514
19928514
19928517
19928517
36037448
36037448

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-propyl- (4R,7R)-5-keto-2-methyl-4,7-bis(…

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) 4.77 12.74 -17.21 1 4 0 55 413.564 6 ↓

Analogs

19928509
19928509
19928514
19928514
19928517
19928517
2775380
2775380

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-propyl- (4S,7R)-5-keto-2-methyl-4,7-bis(…

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) 4.77 12.74 -17.23 1 4 0 55 413.564 6 ↓

Analogs

2792793
2792793
2792794
2792794
2792795
2792795

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-isopr (4S,7R)-5-keto-2-methyl-4,7-bis(…

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) 4.42 12.9 -16.56 1 5 0 65 457.617 8 ↓

Analogs

2792794
2792794
2792795
2792795
2792792
2792792

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-isopr (4R,7R)-5-keto-2-methyl-4,7-bis(…

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) 4.42 12.91 -16.23 1 5 0 65 457.617 8 ↓

Analogs

2792795
2792795
2792793
2792793

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-isopr (4S,7S)-5-keto-2-methyl-4,7-bis(…

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) 4.42 12.9 -16.48 1 5 0 65 457.617 8 ↓

Analogs

2792816
2792816
2792817
2792817
2792818
2792818
2981151
2981151
2981152
2981152

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-isopr (4R,7S)-5-keto-2-methyl-4,7-bis(…

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) 4.42 12.91 -16.36 1 5 0 65 457.617 8 ↓

Analogs

2792816
2792816
2792817
2792817
2792818
2792818
2981151
2981151
2981152
2981152

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-ethox (4R,7S)-5-keto-2-methyl-4,7-bis(…

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) 4.06 12.23 -18.35 1 5 0 65 443.59 8 ↓

Analogs

2792817
2792817
2792818
2792818
2806034
2806034
2806035
2806035
2806036
2806036

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-ethox (4S,7S)-5-keto-2-methyl-4,7-bis(…

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) 4.06 12.15 -16.44 1 5 0 65 443.59 8 ↓

Analogs

2792818
2792818
2806034
2806034
2806035
2806035
2806036
2806036
2806037
2806037

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-ethox (4R,7R)-5-keto-2-methyl-4,7-bis(…

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) 4.06 12.24 -18.14 1 5 0 65 443.59 8 ↓

Analogs

2806034
2806034
2806035
2806035
2806036
2806036
2806037
2806037
2981151
2981151

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-ethox (4S,7R)-5-keto-2-methyl-4,7-bis(…

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) 4.06 12.15 -16.54 1 5 0 65 443.59 8 ↓

Analogs

2981151
2981151
2981152
2981152
2775770
2775770

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-metho (4S,7R)-5-keto-2-methyl-4,7-bis(…

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) 3.68 11.18 -16.56 1 5 0 65 429.563 7 ↓

Analogs

2981151
2981151
2981152
2981152
2775770
2775770

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-metho (4R,7R)-5-keto-2-methyl-4,7-bis(…

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) 3.68 11.19 -16.5 1 5 0 65 429.563 7 ↓

Analogs

2981151
2981151
2981152
2981152
2775770
2775770

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-metho (4S,7S)-5-keto-2-methyl-4,7-bis(…

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) 3.68 11.18 -16.47 1 5 0 65 429.563 7 ↓

Analogs

2981151
2981151
2981152
2981152
2775770
2775770

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-2-metho (4R,7S)-5-keto-2-methyl-4,7-bis(…

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) 3.68 11.19 -16.44 1 5 0 65 429.563 7 ↓

Parameters Provided:

ring.id = 236276
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 = 236276 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=236276&filter.purchasability=annotated

Embed Link to Results