Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_1s9ak2n7omsnn5s1qgjqo58180, 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

8590271
8590271
9151260
9151260

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-benzylimidazo[5,4-b]pyridin-2-yl)sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide 4-[(3-benzylimidazo[5,4-b]pyridi…

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) 3.93 13.57 -53.36 2 6 1 64 446.6 9 ↓
Hi High (pH 8-9.5) 3.93 11.04 -17.14 1 6 0 63 445.592 9 ↓

Analogs

9151324
9151324
15679814
15679814

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-benzylimidazo[5,4-b]pyridin-2-yl)sulfanylmethyl]-N-isopropyl-benzamide 4-[(3-benzylimidazo[5,4-b]pyridi…

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) 4.57 12.99 -16.68 1 5 0 60 416.55 7 ↓

Analogs

8590271
8590271
9151260
9151260

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-benzylimidazo[5,4-b]pyridin-2-yl)sulfanylmethyl]-N-(2-diethylaminoethyl)benzamide 4-[(3-benzylimidazo[5,4-b]pyridi…

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) 4.68 14.73 -51.95 2 6 1 64 474.654 11 ↓
Hi High (pH 8-9.5) 4.68 12.42 -16.86 1 6 0 63 473.646 11 ↓

Analogs

15679816
15679816

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-benzylimidazo[5,4-b]pyridin-2-yl)sulfanylmethyl]-N-(2-methoxyethyl)benzamide 4-[(3-benzylimidazo[5,4-b]pyridi…

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) 3.88 11.23 -16.57 1 6 0 69 432.549 9 ↓

Analogs

9151269
9151269
9151271
9151271
9151328
9151328

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-benzylimidazo[5,4-b]pyridin-2-yl)sulfanylmethyl]-N-(3-ethoxypropyl)benzamide 4-[(3-benzylimidazo[5,4-b]pyridi…

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) 4.53 12.96 -16.86 1 6 0 69 460.603 11 ↓

Analogs

9151269
9151269
9151271
9151271
9151328
9151328

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-benzylimidazo[5,4-b]pyridin-2-yl)sulfanylmethyl]-N-(3-methoxypropyl)benzamide 4-[(3-benzylimidazo[5,4-b]pyridi…

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) 4.15 11.99 -16.95 1 6 0 69 446.576 10 ↓

Analogs

15679817
15679817

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-benzylimidazo[5,4-b]pyridin-2-yl)sulfanylmethyl]-N-ethyl-benzamide 4-[(3-benzylimidazo[5,4-b]pyridi…

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) 4.28 12.18 -16.67 1 5 0 60 402.523 7 ↓

Analogs

8596889
8596889

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-[(4-fluorophenyl)methyl]imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide 4-[[3-[(4-fluorophenyl)methyl]im…

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) 4.74 13.06 -16.58 1 5 0 60 434.54 7 ↓

Analogs

9151288
9151288

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-[(4-fluorophenyl)methyl]imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]-N-propyl-benzamide 4-[[3-[(4-fluorophenyl)methyl]im…

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) 4.94 13 -16.53 1 5 0 60 434.54 8 ↓

Analogs

9151294
9151294

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-[(4-fluorophenyl)methyl]imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide 4-[[3-[(4-fluorophenyl)methyl]im…

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) 4.05 11.3 -16.46 1 6 0 69 450.539 9 ↓

Analogs

8596904
8596904

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-[(4-fluorophenyl)methyl]imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamid 4-[[3-[(4-fluorophenyl)methyl]im…

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) 4.32 12.06 -16.84 1 6 0 69 464.566 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[[3-[(4-fluorophenyl)methyl]imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]benzamide N-ethyl-4-[[3-[(4-fluorophenyl)m…

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) 4.44 12.25 -16.56 1 5 0 60 420.513 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethoxypropyl)-4-[[3-[(2-fluorophenyl)methyl]imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]benzamide N-(3-ethoxypropyl)-4-[[3-[(2-flu…

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) 4.64 12.8 -17.14 1 6 0 69 478.593 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-[(2-fluorophenyl)methyl]imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamid 4-[[3-[(2-fluorophenyl)methyl]im…

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) 4.27 11.83 -17.23 1 6 0 69 464.566 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[[3-[(2-fluorophenyl)methyl]imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]benzamide N-ethyl-4-[[3-[(2-fluorophenyl)m…

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) 4.39 12.02 -16.95 1 5 0 60 420.513 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-[(2-fluorophenyl)methyl]imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]-N-methyl-benzamide 4-[[3-[(2-fluorophenyl)methyl]im…

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) 4.01 11.16 -17.61 1 5 0 60 406.486 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[[3-(m-tolylmethyl)imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]benzamide N-ethyl-4-[[3-(m-tolylmethyl)imi…

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) 4.70 12.84 -16.78 1 5 0 60 416.55 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-[[3-(m-tolylmethyl)imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]benzamide N-methyl-4-[[3-(m-tolylmethyl)im…

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) 4.32 11.98 -17.39 1 5 0 60 402.523 6 ↓

Parameters Provided:

ring.id = 84360
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 = 84360 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=84360&filter.purchasability=annotated

Embed Link to Results