Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_e4qjjj9b8o9drurg8t7fg2et44, 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

44869601
44869601
32666530
32666530
12382537
12382537
16604155
16604155

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-piperidyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (4-amino-1-piperidyl)-(4,5,6,7-t…

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) 1.72 5.23 -54.67 3 3 1 48 265.402 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]piperidine-2-carboxylic (2R)-1-[(5R)-5-methyl-4,5,6,7-te…

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) 1.36 10.17 -66.13 0 4 -1 60 306.407 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]piperidine-2-carboxylic (2R)-1-[(5S)-5-methyl-4,5,6,7-te…

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) 1.36 10.17 -66.15 0 4 -1 60 306.407 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]piperidine-2-carboxylic (2S)-1-[(5R)-5-methyl-4,5,6,7-te…

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) 1.36 10.35 -67.85 0 4 -1 60 306.407 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]piperidine-2-carboxylic (2S)-1-[(5S)-5-methyl-4,5,6,7-te…

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) 1.36 10.35 -67.85 0 4 -1 60 306.407 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]-N-[(1R)-1,2-dimethylpropyl]piperid 1-[(5S)-5-tert-butyl-4,5,6,7-tet…

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) 5.34 11.06 -13.62 1 4 0 49 418.647 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]-N-[(1S)-1,2-dimethylpropyl]piperid 1-[(5S)-5-tert-butyl-4,5,6,7-tet…

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) 5.34 11.36 -13.78 1 4 0 49 418.647 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5R)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]-N-[(1R)-1,2-dimethylpropyl]piperid 1-[(5R)-5-tert-butyl-4,5,6,7-tet…

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) 5.34 11.06 -13.63 1 4 0 49 418.647 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5R)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]-N-[(1S)-1,2-dimethylpropyl]piperid 1-[(5R)-5-tert-butyl-4,5,6,7-tet…

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) 5.34 11.4 -13.53 1 4 0 49 418.647 5 ↓

Analogs

13167219
13167219

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperidine-4-carboxylic 4-methyl-1-(4,5,6,7-tetrahydrobe…

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) 2.71 8.88 -49.65 0 4 -1 60 306.407 2 ↓

Analogs

13170712
13170712
13170713
13170713

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(4,5,6,7-tetrahy…

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) 2.71 9.31 -52.24 0 4 -1 60 306.407 2 ↓

Analogs

13170712
13170712
13170713
13170713

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(4,5,6,7-tetrahy…

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) 2.71 9.28 -52.33 0 4 -1 60 306.407 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-3-piperidyl]methanesulfonamide [(3S)-1-(4,5,6,7-tetrahydrobenzo…

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) 2.01 3.67 -24.22 2 5 0 80 342.486 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-3-piperidyl]methanesulfonamide [(3R)-1-(4,5,6,7-tetrahydrobenzo…

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) 2.01 3.76 -23.66 2 5 0 80 342.486 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone [4-(2-aminoethyl)-1-piperidyl]-(…

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) 2.48 6.63 -54.65 3 3 1 48 293.456 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[2-(methylamino)ethyl]-1-piperidyl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone [4-[2-(methylamino)ethyl]-1-pipe…

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) 3.46 8.55 -47.59 2 3 1 37 307.483 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone [(2S)-2-[2-(methylamino)ethyl]-1…

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) 3.40 8.43 -36.92 2 3 1 37 307.483 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone [(2R)-2-[2-(methylamino)ethyl]-1…

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) 3.40 8.55 -36.53 2 3 1 37 307.483 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]-4-piperidyl]acetamide 2-[1-[(5S)-5-tert-butyl-4,5,6,7-…

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) 3.96 7.41 -14.24 2 4 0 63 362.539 4 ↓

Analogs

41671438
41671438

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-3-piperidyl]methyl]methanesulfonamide N-[[(3R)-1-(4,5,6,7-tetrahydrobe…

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) 2.38 4.79 -19.25 1 5 0 66 356.513 4 ↓

Analogs

41671435
41671435

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-3-piperidyl]methyl]methanesulfonamide N-[[(3S)-1-(4,5,6,7-tetrahydrobe…

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) 2.38 4.83 -19.02 1 5 0 66 356.513 4 ↓

Parameters Provided:

ring.id = 109836
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 = 109836 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=109836&filter.purchasability=annotated

Embed Link to Results