Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_7604381pamceijhba8v2ioavi4, 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

42927530
42927530

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide 1-(2,5-dimethylphenyl)-6-oxo-N-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) 3.55 8.22 -9.57 1 5 0 62 315.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-methyl-2-oxo-2-propylamino-ethyl] [(1R)-1-methyl-2-oxo-2-propylami…

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) 1.88 7.28 -17.81 1 7 0 88 331.372 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-oxo-2-propylamino-ethyl] [(1S)-1-methyl-2-oxo-2-propylami…

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) 1.88 7.32 -17.6 1 7 0 88 331.372 7 ↓

Analogs

36874326
36874326
39224962
39224962
39224964
39224964
39224967
39224967
39224969
39224969

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] [(1S)-2-(allylamino)-1-methyl-2-…

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) 1.65 7.09 -15.24 1 7 0 88 329.356 7 ↓

Analogs

39224962
39224962
39224964
39224964
39224967
39224967
39224969
39224969
39224971
39224971

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] [(1R)-2-(allylamino)-1-methyl-2-…

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) 1.65 7.09 -15.52 1 7 0 88 329.356 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 1.70 7.44 -13.99 1 7 0 88 345.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic 1-(2-methoxyphenyl)-6-oxo-4,5-di…

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) 0.93 5.15 -49.13 0 6 -1 82 247.23 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] [2-(1,1-dimethylpropylamino)-2-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) 2.33 7.52 -15.03 1 7 0 88 345.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-car 1-(2,5-dimethylphenyl)-N-(2-meth…

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) 2.76 8.31 -13.33 0 6 0 62 385.386 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide N-(2-dimethylaminoethyl)-6-oxo-1…

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) 0.81 5.53 -46.12 2 6 1 66 289.359 5 ↓
Hi High (pH 8-9.5) 0.81 3.06 -9.48 1 6 0 65 288.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 1.52 8.6 -10.22 0 7 0 79 345.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(dimethylamino)-2-oxo-ethyl] [2-(dimethylamino)-2-oxo-ethyl]

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) 0.45 7.01 -16.54 0 7 0 79 303.318 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-oxo-2-ureido-ethyl) (2-oxo-2-ureido-ethyl)

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) -0.08 3.41 -26.83 3 9 0 131 318.289 5 ↓

Analogs

32263235
32263235

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-N-(3-ethoxypropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide 1-(2,5-dimethylphenyl)-N-(3-etho…

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) 2.24 6.7 -10.49 1 6 0 71 331.416 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] [2-(methylcarbamoylamino)-2-oxo-…

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) 0.29 4.83 -26.52 2 9 0 117 332.316 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] [(1S)-1-methyl-2-oxo-2-ureido-et…

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) 0.28 4.09 -25.77 3 9 0 131 332.316 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] [(1R)-1-methyl-2-oxo-2-ureido-et…

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) 0.28 4.09 -26.01 3 9 0 131 332.316 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] [(1R)-2-(ethylcarbamoylamino)-1-…

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) 1.03 6.34 -25.37 2 9 0 117 360.37 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] [(1S)-2-(ethylcarbamoylamino)-1-…

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) 1.03 6.34 -25.09 2 9 0 117 360.37 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] [(1S)-2-amino-1-methyl-2-oxo-ethyl]

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) 0.63 4.24 -16.28 2 7 0 102 289.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] [(1R)-2-amino-1-methyl-2-oxo-ethyl]

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) 0.63 4.24 -16.44 2 7 0 102 289.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] [2-(isobutylcarbamoylamino)-2-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) 1.42 7.19 -25.4 2 9 0 117 374.397 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-(propylcarbamoylamino)ethyl] [2-oxo-2-(propylcarbamoylamino)e…

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) 1.17 6.43 -25.7 2 9 0 117 360.37 7 ↓

Parameters Provided:

ring.id = 41935
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 = 41935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=41935&filter.purchasability=annotated

Embed Link to Results