Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_t201k4tt8fqhfkftlg8350s642, 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: 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydropyran-4-carbaldehyde 4-(6,8-dihydro-5H-imidazo[1,2-a]…

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) 0.04 4.54 -33.33 1 5 1 49 250.322 3 ↓
Hi High (pH 8-9.5) 0.04 4.07 -14.31 0 5 0 47 249.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydropyran-4-yl]methyl]ethanamine N-[[4-(6,8-dihydro-5H-imidazo[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) 0.03 5.28 -92.9 3 5 2 48 280.416 5 ↓
Hi High (pH 8-9.5) 0.03 4.81 -42.1 2 5 1 47 279.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydropyran-4-yl]methyl]propan-1-amine N-[[4-(6,8-dihydro-5H-imidazo[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) 0.54 6.03 -94.24 3 5 2 48 294.443 6 ↓
Hi High (pH 8-9.5) 0.54 5.56 -43.02 2 5 1 47 293.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydropyran-4-yl]methyl]propan-2-amine N-[[4-(6,8-dihydro-5H-imidazo[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) 0.68 5.79 -91.23 3 5 2 48 294.443 5 ↓
Hi High (pH 8-9.5) 0.68 5.32 -40.83 2 5 1 47 293.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydropyran-4-yl]methanamine [4-(6,8-dihydro-5H-imidazo[1,2-a…

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) -0.97 2.54 -97.72 4 5 2 59 252.362 3 ↓
Hi High (pH 8-9.5) -0.97 2.07 -48.66 3 5 1 58 251.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydropyran-4-yl]-N-methyl-methanamine 1-[4-(6,8-dihydro-5H-imidazo[1,2…

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) 0.01 4.42 -92.5 3 5 2 48 266.389 4 ↓
Hi High (pH 8-9.5) 0.01 3.95 -43.25 2 5 1 47 265.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)tetrahydropyran-4-carboxylic 4-(6,8-dihydro-5H-imidazo[1,2-a]…

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) -0.53 6.69 -75.82 2 6 1 73 266.321 3 ↓
Hi High (pH 8-9.5) -0.53 4.65 -59.8 0 6 -1 70 264.305 3 ↓
Hi High (pH 8-9.5) -0.53 5.11 -45.64 1 6 0 72 265.313 3 ↓

Parameters Provided:

ring.id = 99142
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 = 99142 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=99142&filter.purchasability=annotated

Embed Link to Results