Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_i5l5mniacb5kfhusvolid65r35, 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

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxyl (3R)-1-[3-methyl-1-[3-(trifluoro…

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) 3.73 10.22 -55 0 6 -1 78 436.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxyl (3S)-1-[3-methyl-1-[3-(trifluoro…

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) 3.73 10.17 -55.84 0 6 -1 78 436.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carbonyl)piperidine-3-carboxylic (3R)-1-(3-methyl-1-phenyl-thieno…

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) 2.65 9.23 -55 0 6 -1 78 368.438 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carbonyl)piperidine-3-carboxylic (3S)-1-(3-methyl-1-phenyl-thieno…

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) 2.65 9.15 -55.54 0 6 -1 78 368.438 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxylic (3R)-1-[1-(4-fluorophenyl)-3-met…

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) 2.81 9.24 -53.69 0 6 -1 78 386.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxylic (3S)-1-[1-(4-fluorophenyl)-3-met…

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) 2.81 9.23 -53.96 0 6 -1 78 386.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[1-(3-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxylic (3R)-1-[1-(3-chlorophenyl)-3-met…

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) 3.51 9.68 -54.62 0 6 -1 78 402.883 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-(3-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-3-carboxylic (3S)-1-[1-(3-chlorophenyl)-3-met…

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) 3.51 9.68 -54.48 0 6 -1 78 402.883 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[4,5-d]pyrazole-5-carbonyl]piperidine-4-carboxylic 1-[3-methyl-1-[3-(trifluoromethy…

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) 3.73 10.25 -52.34 0 6 -1 78 436.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methyl-1-phenyl-thieno[4,5-d]pyrazole-5-carbonyl)piperidine-4-carboxylic 1-(3-methyl-1-phenyl-thieno[4,5-…

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) 2.65 9.23 -52.39 0 6 -1 78 368.438 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-4-carboxylic 1-[1-(4-fluorophenyl)-3-methyl-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) 2.81 9.3 -50.52 0 6 -1 78 386.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(3-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carbonyl]piperidine-4-carboxylic 1-[1-(3-chlorophenyl)-3-methyl-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) 3.51 9.75 -51.37 0 6 -1 78 402.883 3 ↓

Analogs

953964
953964
953965
953965
4996620
4996620
4996622
4996622
17356746
17356746

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-[(2R)-2-methylpiperidino]methanone (3-methyl-1-phenyl-thieno[2,3-c]…

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) 3.87 10.18 -10.64 0 4 0 38 339.464 2 ↓

Analogs

953964
953964
953965
953965
4996620
4996620
4996622
4996622
17356746
17356746

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)-[(2S)-2-methylpiperidino]methanone (3-methyl-1-phenyl-thieno[2,3-c]…

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) 3.87 10.22 -10.25 0 4 0 38 339.464 2 ↓

Parameters Provided:

ring.id = 111512
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 = 111512 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=111512&filter.purchasability=annotated

Embed Link to Results