Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_vaj0el7udqbivqkcatshjkfso4, 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-(1-ethylpyrazol-4-yl)pyridazin-3-amine N-(1-ethylpyrazol-4-yl)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) 1.08 3.96 -31.66 2 5 1 57 190.23 3 ↓
Mid Mid (pH 6-8) 1.08 4.09 -13.69 1 5 0 56 189.222 3 ↓
Mid Mid (pH 6-8) 1.08 4.25 -37.97 2 5 1 57 190.23 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-methylpyrazol-4-yl)pyridazin-3-amine N-(1-methylpyrazol-4-yl)pyridazi…

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 3.1 -31.83 2 5 1 57 176.203 2 ↓
Mid Mid (pH 6-8) 0.70 3.22 -13.84 1 5 0 56 175.195 2 ↓
Mid Mid (pH 6-8) 0.70 3.39 -38.22 2 5 1 57 176.203 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridazin-3-amine N-[1-(2-methoxyethyl)pyrazol-4-y…

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 3 -32.62 2 6 1 66 220.256 5 ↓
Mid Mid (pH 6-8) 0.69 3.29 -38.61 2 6 1 66 220.256 5 ↓
Mid Mid (pH 6-8) 0.69 3.13 -13.12 1 6 0 65 219.248 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[[1-(2-hydroxyethyl)pyrazol-4-…

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) 0.76 2.13 -10.89 2 7 0 100 258.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-pyridazin-3-amine N-[1-(2-methoxyethyl)pyrazol-4-y…

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) 0.94 3.73 -13.32 1 6 0 65 233.275 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridazin-3-amine 6-chloro-N-[1-(2-methoxyethyl)py…

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) 1.90 3.55 -13.01 1 6 0 65 253.693 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[1-(2-methoxyethyl)pyrazol-4-…

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) 1.43 3.42 -16.84 3 7 0 91 306.395 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridazine-3-carboxylic 6-[[1-(2-methoxyethyl)pyrazol-4-…

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) 0.52 3.65 -57.54 1 8 -1 105 262.249 6 ↓

Parameters Provided:

ring.id = 23779
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 = 23779 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=23779&filter.purchasability=annotated

Embed Link to Results