Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_fon9shsep1n4fbd3subvfdnnv1, 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: 6-methyl-4-oxo-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-furo[5,4-d]pyrimi 6-methyl-4-oxo-2-[[4-(p-tolyl)-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) 2.51 11.12 -64.54 1 10 -1 143 473.494 6 ↓
Mid Mid (pH 6-8) 2.97 8.65 -130.39 0 10 -2 146 472.486 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d 2-[[4-(4-fluorophenyl)-5-(4-pyri…

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) 2.23 10.53 -64.05 1 10 -1 143 477.457 6 ↓
Mid Mid (pH 6-8) 2.69 8.07 -128.14 0 10 -2 146 476.449 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4- 2-[[4-(4-methoxyphenyl)-5-(4-pyr…

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) 2.12 9.75 -64.74 1 11 -1 152 489.493 7 ↓
Mid Mid (pH 6-8) 2.58 7.29 -129.94 0 11 -2 155 488.485 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-3H-furo[5,4-d]pyrimi 6-methyl-2-[[4-(o-tolyl)-5-(4-py…

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) 2.68 9.51 -69.03 1 10 -1 143 473.494 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d] 2-[[4-(4-ethylphenyl)-5-(4-pyrid…

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) 2.98 11.89 -64.36 1 10 -1 143 487.521 7 ↓
Mid Mid (pH 6-8) 3.44 9.41 -130.33 0 10 -2 146 486.513 7 ↓

Parameters Provided:

ring.id = 135854
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 = 135854 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=135854&filter.purchasability=annotated

Embed Link to Results