Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_s67250ig4222s5i6fr01um2je2, 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: 1-[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]cyclohexanecarboxylic 1-[(1-methyl-6-oxo-pyridazine-3-…

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) -1.57 5.01 -53.76 1 7 -1 104 278.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-6-oxo-N-[4-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide 1-(2-methoxyethyl)-6-oxo-N-[4-(t…

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) 1.40 4.33 -10.02 1 6 0 73 347.337 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-(2-hydroxyethyl)-1-methyl-6-oxo-pyridazine-3-carboxamide N-cyclohexyl-N-(2-hydroxyethyl)-…

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) 0.70 3.37 -9.66 1 6 0 75 279.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-6-oxo-N-[1-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide 1-(2-methoxyethyl)-6-oxo-N-[1-(t…

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) 2.07 4.69 -9.12 1 6 0 73 347.337 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1-ethyl-6-oxo-pyridazine-3-carbonyl)amino]cyclohexanecarboxylic 1-[(1-ethyl-6-oxo-pyridazine-3-c…

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) -1.20 5.9 -53.64 1 7 -1 104 292.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(6-oxo-1-propyl-pyridazine-3-carbonyl)amino]cyclohexanecarboxylic 1-[(6-oxo-1-propyl-pyridazine-3-…

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) -0.69 6.65 -53.22 1 7 -1 104 306.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1-butyl-6-oxo-pyridazine-3-carbonyl)amino]cyclohexanecarboxylic 1-[(1-butyl-6-oxo-pyridazine-3-c…

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) -0.14 7.43 -53.17 1 7 -1 104 320.369 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-6-oxo-N-(4-propylcyclohexyl)pyridazine-3-carboxamide 1-methyl-6-oxo-N-(4-propylcycloh…

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) 2.11 5.42 -8.06 1 5 0 64 277.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-1-methyl-6-oxo-N-prop-2-ynyl-pyridazine-3-carboxamide N-cyclohexyl-1-methyl-6-oxo-N-pr…

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) 1.49 7.11 -8.86 0 5 0 55 273.336 3 ↓

Analogs

41780923
41780923
41780924
41780924
41780925
41780925

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1S,2R,3R)-2,3-dimethylcycloh…

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) 1.57 4.35 -7.82 1 5 0 64 263.341 2 ↓

Analogs

41780924
41780924
41780925
41780925
41780922
41780922

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1S,2R,3S)-2,3-dimethylcycloh…

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) 1.57 5.16 -7.55 1 5 0 64 263.341 2 ↓

Analogs

41780925
41780925
41780922
41780922
41780923
41780923

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1R,2R,3R)-2,3-dimethylcycloh…

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) 1.57 4.51 -7.89 1 5 0 64 263.341 2 ↓

Analogs

41780922
41780922
41780923
41780923
41780924
41780924

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[(1R,2R,3S)-2,3-dimethylcycloh…

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) 1.57 4.73 -7.85 1 5 0 64 263.341 2 ↓

Analogs

41781063
41781063
41781064
41781064
41781065
41781065
11781500
11781500

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-oxo-pyridazine-3-carboxamide 1-butyl-N-[(1R,2S,3S)-2,3-dimeth…

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) 3.01 6.8 -7.42 1 5 0 64 305.422 5 ↓

Analogs

41781064
41781064
41781065
41781065
41781062
41781062
11781500
11781500

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-6-oxo-pyridazine-3-carboxamide 1-butyl-N-[(1S,2S,3S)-2,3-dimeth…

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) 3.01 6.95 -7.47 1 5 0 64 305.422 5 ↓

Analogs

41781065
41781065
41781062
41781062
41781063
41781063
11781500
11781500

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6-oxo-pyridazine-3-carboxamide 1-butyl-N-[(1R,2S,3R)-2,3-dimeth…

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) 3.01 7.61 -7.18 1 5 0 64 305.422 5 ↓

Analogs

41781062
41781062
41781063
41781063
41781064
41781064
11781500
11781500

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-oxo-pyridazine-3-carboxamide 1-butyl-N-[(1S,2S,3R)-2,3-dimeth…

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) 3.01 7.19 -7.45 1 5 0 64 305.422 5 ↓

Parameters Provided:

ring.id = 124608
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 = 124608 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=124608&filter.purchasability=annotated

Embed Link to Results