Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_i77p44kp7ejbfmkp2ics61i946, 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: (3S)-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperidine-3-carboxylic (3S)-1-(1-methyl-6-oxo-pyridazin…

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) -0.55 4.58 -50.68 0 7 -1 95 264.261 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperidine-3-carboxylic (3R)-1-(1-methyl-6-oxo-pyridazin…

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) -0.55 4.37 -49.4 0 7 -1 95 264.261 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperidine-2-carboxylic (2R)-1-(1-methyl-6-oxo-pyridazin…

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) -1.89 5.67 -59.6 0 7 -1 95 264.261 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperidine-2-carboxylic (2S)-1-(1-methyl-6-oxo-pyridazin…

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) -1.89 5.77 -59.58 0 7 -1 95 264.261 2 ↓

Analogs

33023522
33023522
33023792
33023792

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-oxo-1-propyl-pyridazine-3-carbonyl)piperidine-3-carboxylic (3S)-1-(6-oxo-1-propyl-pyridazin…

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) 0.33 6.24 -49.86 0 7 -1 95 292.315 4 ↓

Analogs

33023522
33023522
33023792
33023792

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-oxo-1-propyl-pyridazine-3-carbonyl)piperidine-3-carboxylic (3R)-1-(6-oxo-1-propyl-pyridazin…

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) 0.33 6.02 -48.95 0 7 -1 95 292.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperidine-4-carboxylic 4-methyl-1-(1-methyl-6-oxo-pyrid…

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) -0.31 4.84 -49.4 0 7 -1 95 278.288 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(1-methyl-6-oxo-pyrida…

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) 0.03 5.28 -48.45 0 7 -1 95 292.315 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(1-methyl-6-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) -0.31 5.28 -50.2 0 7 -1 95 278.288 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(1-methyl-6-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) -0.31 5.3 -50.49 0 7 -1 95 278.288 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(1-methyl-6-oxo-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) 0.03 5.74 -48.59 0 7 -1 95 292.315 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(1-methyl-6-oxo-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) 0.03 5.78 -48.85 0 7 -1 95 292.315 3 ↓

Analogs

53152378
53152378

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2S)-2-(dimethylaminomethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one 6-[(2S)-2-(dimethylaminomethyl)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) 0.34 5.82 -38.5 1 7 1 69 323.417 6 ↓

Analogs

53152378
53152378

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2R)-2-(dimethylaminomethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one 6-[(2R)-2-(dimethylaminomethyl)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) 0.34 5.9 -38.11 1 7 1 69 323.417 6 ↓

Analogs

41951303
41951303

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-6-[(2R)-2-methylpiperidine-1-carbonyl]pyridazin-3-one 2-(2-methoxyethyl)-6-[(2R)-2-met…

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) 0.65 4.76 -7.67 0 6 0 64 279.34 4 ↓

Analogs

41951299
41951299

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methoxyethyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-3-one 2-(2-methoxyethyl)-6-[(2S)-2-met…

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) 0.65 4.73 -7.7 0 6 0 64 279.34 4 ↓

Parameters Provided:

ring.id = 32609
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 = 32609 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=32609&filter.purchasability=annotated

Embed Link to Results