Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_d0bgjmjcrtc6al3s25p8lttcv3, 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: 5-fluoro-2-[(6-oxopyran-3-carbonyl)amino]benzoic 5-fluoro-2-[(6-oxopyran-3-carbon…

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) 1.71 5.69 -42.87 1 6 -1 99 276.199 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-4-[(6-oxopyran-3-carbonyl)amino]benzoic 2-hydroxy-4-[(6-oxopyran-3-carbo…

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) 1.43 3.31 -74.03 2 7 -1 120 274.208 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[(6-oxopyran-3-carbonyl)amino]benzoic 4-chloro-3-[(6-oxopyran-3-carbon…

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) 2.04 5.89 -60.31 1 6 -1 99 292.654 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]benzoic 4-methyl-3-[(6-oxopyran-3-carbon…

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) 1.81 6.06 -71.86 1 6 -1 99 272.236 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-iodo-2-[(6-oxopyran-3-carbonyl)amino]benzoic 5-iodo-2-[(6-oxopyran-3-carbonyl…

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 7.64 -41.47 1 6 -1 99 384.105 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dibromo-2-[(6-oxopyran-3-carbonyl)amino]benzoic 3,5-dibromo-2-[(6-oxopyran-3-car…

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) 3.09 7.91 -39.98 1 6 -1 99 416.001 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[(6-oxopyran-3-carbonyl)amino]benzoic 3-bromo-2-[(6-oxopyran-3-carbony…

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) 2.33 7.41 -46.2 1 6 -1 99 337.105 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(2-aminoethoxy)phenyl]-6-oxo-pyran-3-carboxamide N-[3-(2-aminoethoxy)phenyl]-6-ox…

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) 0.36 3.37 -52.24 4 6 1 96 275.284 5 ↓
Hi High (pH 8-9.5) 0.36 2.99 -14.92 3 6 0 95 274.276 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(6-oxopyran-3-carbonyl)amino]benzoic 3-fluoro-4-[(6-oxopyran-3-carbon…

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) 1.53 6.35 -50.47 1 6 -1 99 276.199 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-3-methoxy-phenyl)-6-oxo-pyran-3-carboxamide N-(4-amino-3-methoxy-phenyl)-6-o…

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) 0.99 2.96 -13.61 3 6 0 95 260.249 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(hydroxymethyl)phenyl]-6-oxo-pyran-3-carboxamide N-[2-(hydroxymethyl)phenyl]-6-ox…

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) 0.82 3.3 -14.27 2 5 0 80 245.234 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-2-[(6-oxopyran-3-carbonyl)amino]benzoic 3,5-dichloro-2-[(6-oxopyran-3-ca…

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 7.71 -39.98 1 6 -1 99 327.099 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1S)-1-hydroxyethyl]phenyl]-6-oxo-pyran-3-carboxamide N-[2-[(1S)-1-hydroxyethyl]phenyl…

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) 1.04 4.08 -13.74 2 5 0 80 259.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1R)-1-hydroxyethyl]phenyl]-6-oxo-pyran-3-carboxamide N-[2-[(1R)-1-hydroxyethyl]phenyl…

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) 1.04 4.11 -13.78 2 5 0 80 259.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-methoxy-phenyl)-6-oxo-pyran-3-carboxamide N-(5-bromo-2-methoxy-phenyl)-6-o…

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 5.7 -12.24 1 5 0 69 324.13 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethynylphenyl)-6-oxo-pyran-3-carboxamide N-(3-ethynylphenyl)-6-oxo-pyran-…

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) 1.26 6.85 -15.6 1 4 0 59 239.23 2 ↓

Parameters Provided:

ring.id = 47305
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 = 47305 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=47305&filter.purchasability=annotated

Embed Link to Results