Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_2d77pvt7mgr87d9k5c168ituf7, 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: 3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-4-chloro-benzoic 3-[4-(1-acetyl-3,6-dihydro-2H-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) 3.17 8.21 -57.38 0 7 -1 104 434.877 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-2-chloro-benzoic 5-[4-(1-acetyl-3,6-dihydro-2H-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) 2.83 8.16 -61.14 0 7 -1 104 434.877 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-2,4-dichloro-benzoic 5-[4-(1-acetyl-3,6-dihydro-2H-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) 3.44 8.77 -54.88 0 7 -1 104 469.322 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonylbenzoic 3-[4-(1-acetyl-3,6-dihydro-2H-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) 2.54 7.79 -61.41 0 7 -1 104 400.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-4,5-dimethoxy-phenyl]prop-2-enoic (E)-3-[3-[4-(1-acetyl-3,6-dihydr…

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 8.97 -60.92 0 9 -1 122 486.522 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-4-methoxy-benzoic 3-[4-(1-acetyl-3,6-dihydro-2H-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) 2.55 7.92 -62.64 0 8 -1 113 430.458 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-2-bromo-benzoic 5-[4-(1-acetyl-3,6-dihydro-2H-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) 2.97 8.26 -60.32 0 7 -1 104 479.328 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-2-methyl-benzoic 5-[4-(1-acetyl-3,6-dihydro-2H-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) 2.61 8.32 -63.34 0 7 -1 104 414.459 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-2-fluoro-benzoic 5-[4-(1-acetyl-3,6-dihydro-2H-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) 2.32 7.87 -63.91 0 7 -1 104 418.422 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-4-methoxy-phenyl]prop-2-enoic (E)-3-[3-[4-(1-acetyl-3,6-dihydr…

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) 2.61 9.07 -64.85 0 8 -1 113 456.496 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-4-bromo-benzoic 3-[4-(1-acetyl-3,6-dihydro-2H-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) 3.30 8.28 -57.37 0 7 -1 104 479.328 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonylbenzoic 4-[4-(1-acetyl-3,6-dihydro-2H-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) 2.57 7.78 -57.18 0 7 -1 104 400.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonylphenyl]prop-2-enoic (E)-3-[4-[4-(1-acetyl-3,6-dihydr…

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) 2.63 9.03 -59.27 0 7 -1 104 426.47 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonylphenyl]propanoic 3-[4-[4-(1-acetyl-3,6-dihydro-2H…

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) 2.60 9.37 -57.2 0 7 -1 104 428.486 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-4,5-dimethyl-benzoic 3-[4-(1-acetyl-3,6-dihydro-2H-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) 3.32 8.84 -64.05 0 7 -1 104 428.486 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-4-fluoro-benzoic 3-[4-(1-acetyl-3,6-dihydro-2H-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) 2.66 7.91 -57.16 0 7 -1 104 418.422 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]sulfonyl-4-methyl-benzoic 3-[4-(1-acetyl-3,6-dihydro-2H-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) 2.94 8.34 -63.14 0 7 -1 104 414.459 5 ↓

Parameters Provided:

ring.id = 125552
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 = 125552 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=125552&filter.purchasability=annotated

Embed Link to Results