Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_69bh9e8b0ubl4ehn2c8sph4aq6, 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

39763024
39763024
39965511
39965511
39965512
39965512
39965524
39965524
39965526
39965526

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[4-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl] N-(3-cyano-4,5,6,7-tetrahydroben…

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) 3.84 9.39 -15.19 2 7 0 104 439.566 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 2-[({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate ethyl 2-[({[5-(4-chlorophenyl)-4…

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) 5.45 0.25 -14.14 1 7 0 86 505.065 9 ↓

Analogs

11308541
11308541
16728954
16728954
16788323
16788323

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino-4,5,6,7-tetrahydroben 2-[2-[[4-amino-5-(4-tert-butylph…

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) 4.09 -5.8 -16.3 5 8 0 128 484.651 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino-4,5,6,7-tetrahydrobenzot 2-[2-[[4-amino-5-(2-methoxypheny…

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) 2.40 -7.17 -19.08 5 9 0 138 458.569 7 ↓

Analogs

11364364
11364364

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino-4,5,6,7-tetrahydrobenzoth 2-[2-[[4-amino-5-(4-ethoxyphenyl…

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) 2.82 -6.92 -16.96 5 9 0 138 472.596 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-2-[[2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-te N-(2-methoxyethyl)-2-[[2-[[4-met…

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) 3.76 9.64 -16.51 2 8 0 98 499.662 9 ↓

Parameters Provided:

ring.id = 4572
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 = 4572 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4572&filter.purchasability=annotated

Embed Link to Results