Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_a97ev8kfga6qfmo3gbj7lrmfc6, 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-[ethyl(2-thienylmethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde 2-[ethyl(2-thienylmethyl)amino]i…

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) 3.23 10.02 -10.95 0 4 0 38 285.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[ethyl(2-thienylmethyl)amino]imidazo[1,2-a]pyridin-3-yl]methanol [2-[ethyl(2-thienylmethyl)amino]…

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) 2.78 7.66 -12.06 1 4 0 41 287.388 5 ↓
Mid Mid (pH 6-8) 2.78 8.31 -25.78 2 4 1 42 288.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-N-ethyl-N-(2-thienylmethyl)imidazo[1,2-a]pyridin-2-amine 3-(chloromethyl)-N-ethyl-N-(2-th…

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 11.33 -9.27 0 3 0 21 305.834 5 ↓
Lo Low (pH 4.5-6) 4.01 11.92 -26.56 1 3 1 22 306.842 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(aminomethyl)-N-ethyl-N-(2-thienylmethyl)imidazo[1,2-a]pyridin-2-amine 3-(aminomethyl)-N-ethyl-N-(2-thi…

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) 2.62 8.26 -49.82 3 4 1 48 287.412 5 ↓
Hi High (pH 8-9.5) 2.62 8.04 -9.59 2 4 0 47 286.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3-(methylaminomethyl)-N-(2-thienylmethyl)imidazo[1,2-a]pyridin-2-amine N-ethyl-3-(methylaminomethyl)-N-…

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) 3.00 10.2 -44.08 2 4 1 37 301.439 6 ↓
Hi High (pH 8-9.5) 3.00 9.22 -8.91 1 4 0 33 300.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-chloro-2-thienyl)methyl-methyl-amino]imidazo[1,2-a]pyridine-3-carbaldehyde 2-[(5-chloro-2-thienyl)methyl-me…

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) 3.66 9.72 -10.96 0 4 0 38 305.79 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-chloro-2-thienyl)methyl-methyl-amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[(5-chloro-2-thienyl)methyl-me…

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) 3.44 9.41 -54.99 0 5 -1 61 320.781 4 ↓
Mid Mid (pH 6-8) 3.44 9.88 -41.6 1 5 0 62 321.789 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(5-chloro-2-thienyl)methyl-methyl-amino]imidazo[1,2-a]pyridin-3-yl]methanol [2-[(5-chloro-2-thienyl)methyl-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) 3.20 7.43 -11.14 1 4 0 41 307.806 4 ↓
Mid Mid (pH 6-8) 3.20 7.8 -28.01 2 4 1 42 308.814 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-N-[(5-chloro-2-thienyl)methyl]-N-methyl-imidazo[1,2-a]pyridin-2-amine 3-(chloromethyl)-N-[(5-chloro-2-…

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 11.09 -8.67 0 3 0 21 326.252 4 ↓
Lo Low (pH 4.5-6) 4.44 11.74 -28.74 1 3 1 22 327.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(aminomethyl)-N-[(5-chloro-2-thienyl)methyl]-N-methyl-imidazo[1,2-a]pyridin-2-amine 3-(aminomethyl)-N-[(5-chloro-2-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) 3.05 7.99 -51.18 3 4 1 48 307.83 4 ↓
Hi High (pH 8-9.5) 3.05 7.63 -8.28 2 4 0 47 306.822 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-methyl-3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-amine N-[(5-chloro-2-thienyl)methyl]-N…

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) 3.42 9.94 -52.08 2 4 1 37 321.857 5 ↓
Hi High (pH 8-9.5) 3.42 8.5 -9.64 1 4 0 33 320.849 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-(2-thienyl)propyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(1S)-1-(2-thienyl)propyl]ami…

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) 3.45 8.35 -61.77 1 5 -1 69 300.363 5 ↓
Mid Mid (pH 6-8) 3.45 8.72 -50.97 2 5 0 71 301.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-(2-thienyl)propyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(1R)-1-(2-thienyl)propyl]ami…

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) 3.45 8.36 -61.74 1 5 -1 69 300.363 5 ↓
Mid Mid (pH 6-8) 3.45 8.72 -50.98 2 5 0 71 301.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-thienylmethylamino)imidazo[1,2-a]pyridine-3-carboxylic 2-(2-thienylmethylamino)imidazo[…

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) 2.39 6.87 -59.99 1 5 -1 69 272.309 4 ↓
Mid Mid (pH 6-8) 2.39 7.31 -49.42 2 5 0 71 273.317 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-(2-thienyl)ethyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(1S)-1-(2-thienyl)ethyl]amin…

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) 2.95 7.66 -61.68 1 5 -1 69 286.336 4 ↓
Mid Mid (pH 6-8) 2.95 8.11 -51.18 2 5 0 71 287.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-(2-thienyl)ethyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(1R)-1-(2-thienyl)ethyl]amin…

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) 2.95 7.66 -61.69 1 5 -1 69 286.336 4 ↓
Mid Mid (pH 6-8) 2.95 8.11 -51.15 2 5 0 71 287.344 4 ↓

Parameters Provided:

ring.id = 188420
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 = 188420 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=188420&filter.purchasability=annotated

Embed Link to Results