Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_0bssthh70rth2u9cpuqepport5, 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: 2-heptyl-5-[4-(4-pentylcyclohexyl)phenyl]thieno[3,2-b]thiophene 2-heptyl-5-[4-(4-pentylcyclohexy…

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) 9.68 21.35 -3.53 0 0 0 0 466.8 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-heptyl-2-[4-(4-nonylcyclohexyl)phenyl]thieno[3,2-b]thiophene 5-heptyl-2-[4-(4-nonylcyclohexyl…

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) 10.00 24.68 -3.53 0 0 0 0 522.908 16 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-heptylcyclohexyl)phenyl]thieno[3,2-b]thiophene-5-carbonitrile 2-[4-(4-heptylcyclohexyl)phenyl]…

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) 9.09 17.99 -3.72 0 1 0 24 421.675 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(4-ethylcyclohexyl)phenyl]-2-heptyl-thieno[3,2-b]thiophene 5-[4-(4-ethylcyclohexyl)phenyl]-…

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) 9.33 19.24 -3.65 0 0 0 0 424.719 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-ethylcyclohexyl)phenyl]thieno[3,2-b]thiophene-5-carbonitrile 2-[4-(4-ethylcyclohexyl)phenyl]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) 7.39 14.31 -3.92 0 1 0 24 351.54 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-butylcyclohexyl)phenyl]thieno[3,2-b]thiophene-5-carbonitrile 2-[4-(4-butylcyclohexyl)phenyl]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) 8.38 15.63 -3.79 0 1 0 24 379.594 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-heptyl-5-[4-(4-heptylcyclohexyl)phenyl]thieno[3,2-b]thiophene 2-heptyl-5-[4-(4-heptylcyclohexy…

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) 9.85 23.11 -3.52 0 0 0 0 494.854 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(4-butylcyclohexyl)phenyl]-2-heptyl-thieno[3,2-b]thiophene 5-[4-(4-butylcyclohexyl)phenyl]-…

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) 9.58 20.57 -3.59 0 0 0 0 452.773 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-pentylcyclohexyl)phenyl]thieno[3,2-b]thiophene-5-carbonitrile 2-[4-(4-pentylcyclohexyl)phenyl]…

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) 8.68 16.41 -3.77 0 1 0 24 393.621 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(4-butylcyclohexyl)phenyl]-2-pentyl-thieno[3,2-b]thiophene 5-[4-(4-butylcyclohexyl)phenyl]-…

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) 9.34 19.21 -3.59 0 0 0 0 424.719 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-heptylcyclohexyl)phenyl]-5-pentyl-thieno[3,2-b]thiophene 2-[4-(4-heptylcyclohexyl)phenyl]…

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) 9.68 21.55 -3.46 0 0 0 0 466.8 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-nonylcyclohexyl)phenyl]thieno[3,2-b]thiophene-5-carbonitrile 2-[4-(4-nonylcyclohexyl)phenyl]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) 9.38 19.55 -3.7 0 1 0 24 449.729 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(4-ethylcyclohexyl)phenyl]-2-pentyl-thieno[3,2-b]thiophene 5-[4-(4-ethylcyclohexyl)phenyl]-…

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) 9.02 17.67 -3.58 0 0 0 0 396.665 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-pentyl-5-[4-(4-pentylcyclohexyl)phenyl]thieno[3,2-b]thiophene 2-pentyl-5-[4-(4-pentylcyclohexy…

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) 9.47 19.99 -3.5 0 0 0 0 438.746 10 ↓

Parameters Provided:

ring.id = 195141
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 = 195141 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=195141&filter.purchasability=annotated

Embed Link to Results