Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_inqfajk4t1spjpbhraja9mcpr2, 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: (1S,4R,5S,6R)-6-[3-(4-ethylphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]bicyclo[2.2.1]hept-2- (1S,4R,5S,6R)-6-[3-(4-ethylpheny…

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) 4.45 13.26 -61.06 0 7 -1 100 437.479 4 ↓
Lo Low (pH 4.5-6) 4.45 11.34 -15.76 1 7 0 97 438.487 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-[3-(4-ethylphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]bicyclo[2.2.1]hept-2- (1S,4R,5S,6S)-6-[3-(4-ethylpheny…

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) 4.45 13.46 -56.06 0 7 -1 100 437.479 4 ↓
Lo Low (pH 4.5-6) 4.45 11.43 -14.56 1 7 0 97 438.487 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-[2-oxo-3-(p-tolyl)-[1,2,4]triazino[2,3-c]quinazolin-6-yl]bicyclo[2.2.1]hept-2-ene-5- (1S,4R,5S,6R)-6-[2-oxo-3-(p-toly…

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) 3.99 12.49 -61.41 0 7 -1 100 423.452 3 ↓
Lo Low (pH 4.5-6) 3.99 10.58 -16.07 1 7 0 97 424.46 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-[2-oxo-3-(p-tolyl)-[1,2,4]triazino[2,3-c]quinazolin-6-yl]bicyclo[2.2.1]hept-2-ene-5- (1S,4R,5S,6S)-6-[2-oxo-3-(p-toly…

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) 3.99 12.69 -56.19 0 7 -1 100 423.452 3 ↓
Lo Low (pH 4.5-6) 3.99 10.67 -15.03 1 7 0 97 424.46 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-(2-oxo-3-phenyl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)bicyclo[2.2.1]hept-2-ene-5-car (1S,4R,5S,6R)-6-(2-oxo-3-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) 3.54 11.81 -61.53 0 7 -1 100 409.425 3 ↓
Lo Low (pH 4.5-6) 3.54 9.91 -16.24 1 7 0 97 410.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-(2-oxo-3-phenyl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)bicyclo[2.2.1]hept-2-ene-5-car (1S,4R,5S,6S)-6-(2-oxo-3-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) 3.54 12.02 -55.94 0 7 -1 100 409.425 3 ↓
Lo Low (pH 4.5-6) 3.54 9.99 -15.13 1 7 0 97 410.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-[3-(4-ethoxyphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]bicyclo[2.2.1]hept-2 (1S,4R,5S,6R)-6-[3-(4-ethoxyphen…

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) 3.97 12.05 -60.42 0 8 -1 110 453.478 5 ↓
Lo Low (pH 4.5-6) 3.97 10.13 -16.54 1 8 0 107 454.486 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-[3-(4-ethoxyphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]bicyclo[2.2.1]hept-2 (1S,4R,5S,6S)-6-[3-(4-ethoxyphen…

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) 3.97 12.25 -55.49 0 8 -1 110 453.478 5 ↓
Lo Low (pH 4.5-6) 3.97 10.22 -14.5 1 8 0 107 454.486 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6R)-6-[3-(4-isopropylphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]bicyclo[2.2.1]hep (1S,4R,5S,6R)-6-[3-(4-isopropylp…

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) 5.05 13.73 -60.68 0 7 -1 100 451.506 4 ↓
Lo Low (pH 4.5-6) 5.05 11.83 -15.55 1 7 0 97 452.514 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R,5S,6S)-6-[3-(4-isopropylphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]bicyclo[2.2.1]hep (1S,4R,5S,6S)-6-[3-(4-isopropylp…

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) 5.05 13.93 -55.75 0 7 -1 100 451.506 4 ↓
Lo Low (pH 4.5-6) 5.05 11.91 -14.4 1 7 0 97 452.514 4 ↓

Parameters Provided:

ring.id = 403965
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 = 403965 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=403965&filter.purchasability=annotated

Embed Link to Results