Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ql27sssr1pk84sbmq4h3umbg87, 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: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]benzamide N-(5-tert-butyl-2-phenyl-pyrazol…

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) 4.62 9.73 -40.71 2 9 0 115 480.528 6 ↓
Hi High (pH 8-9.5) 5.08 8.33 -60.54 1 9 -1 118 479.52 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea 1-[4-chloro-3-(trifluoromethyl)p…

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) 4.67 5.59 -36.33 3 8 0 109 475.814 5 ↓
Hi High (pH 8-9.5) 5.13 4.19 -56.11 2 8 -1 112 474.806 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide 3-tert-butyl-N-[3-[(2-methyl-3-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) 4.73 7.93 -36.1 2 7 0 97 428.492 5 ↓
Hi High (pH 8-9.5) 5.19 6.59 -63.37 1 7 -1 100 427.484 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)ox 1-[2-fluoro-5-(trifluoromethyl)p…

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) 4.52 6.4 -34.27 3 8 0 109 505.453 6 ↓
Hi High (pH 8-9.5) 4.97 5 -52.41 2 8 -1 112 504.445 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)ox 1-[4-chloro-3-(trifluoromethyl)p…

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) 5.03 6.74 -33.76 3 8 0 109 521.908 6 ↓
Hi High (pH 8-9.5) 5.49 5.34 -51.75 2 8 -1 112 520.9 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-N-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide 3-tert-butyl-N-[3-[(3-oxo-4H-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) 4.51 7.34 -36.15 2 7 0 97 414.465 5 ↓
Hi High (pH 8-9.5) 4.97 5.88 -62.83 1 7 -1 100 413.457 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl) 1-[5-tert-butyl-2-(p-tolyl)pyraz…

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) 5.77 10.83 -35.65 3 10 0 127 555.664 7 ↓
Hi High (pH 8-9.5) 6.23 9.44 -54.31 2 10 -1 130 554.656 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phen 1-[5-tert-butyl-2-(p-tolyl)pyraz…

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) 5.61 10.36 -38.54 3 10 0 127 523.597 6 ↓
Hi High (pH 8-9.5) 6.07 9.04 -65.66 2 10 -1 130 522.589 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide N-[3-[(3-oxo-4H-pyrido[2,3-b]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) 3.78 4.78 -37.44 2 8 0 106 442.353 6 ↓
Hi High (pH 8-9.5) 4.23 3.38 -62.94 1 8 -1 109 441.345 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea 1-(5-tert-butyl-2-phenyl-pyrazol…

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) 4.94 9.04 -39.37 3 10 0 127 495.543 6 ↓
Hi High (pH 8-9.5) 5.39 7.68 -65.44 2 10 -1 130 494.535 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea 1-[5-tert-butyl-2-(p-tolyl)pyraz…

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) 5.39 9.71 -38.95 3 10 0 127 509.57 6 ↓
Hi High (pH 8-9.5) 5.84 8.35 -65.04 2 10 -1 130 508.562 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-met 1-[2-fluoro-5-(trifluoromethyl)p…

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) 4.74 7.13 -33.21 3 8 0 109 519.48 6 ↓
Hi High (pH 8-9.5) 5.20 5.81 -53.9 2 8 -1 112 518.472 6 ↓

Parameters Provided:

ring.id = 188587
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 = 188587 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=188587&filter.purchasability=annotated

Embed Link to Results