Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qlduvjomeuiv6lufmk0e5t24n7, 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: 2-Amino-5-(3-methyl-1H-pyrazol-1-yl)pyridine 2-Amino-5-(3-methyl-1H-pyrazol-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) 0.85 3.23 -8.17 2 4 0 57 174.207 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine 2-chloro-5-(3,5-dimethyl-1H-pyra…

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) 2.26 5.39 -8.1 0 3 0 31 207.664 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(5-methoxy-3-pyridyl)-3,5-dimethyl-pyrazol-4-yl]propan-2-one 1-[1-(5-methoxy-3-pyridyl)-3,5-d…

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) 1.31 5.39 -14.1 0 5 0 57 259.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(5-amino-3-pyridyl)-3,5-dimethyl-pyrazol-4-yl]propan-2-one 1-[1-(5-amino-3-pyridyl)-3,5-dim…

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) 0.74 4 -15.44 2 5 0 74 244.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(2-amino-6-methyl-3-pyridyl)pyrazol-4-yl]ethanol 2-[1-(2-amino-6-methyl-3-pyridyl…

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) -0.06 1.88 -8.23 3 5 0 77 218.26 3 ↓
Lo Low (pH 4.5-6) -0.06 2.3 -31.66 4 5 1 78 219.268 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-(3-pyridyl)pyrazol-3-amine 4-chloro-1-(3-pyridyl)pyrazol-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) 1.01 3.31 -6.7 2 4 0 57 194.625 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(pyridin-3-yl)-1H-pyrazol-3-amine 4-methyl-1-(pyridin-3-yl)-1H-pyr…

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) 0.78 3.47 -8.07 2 4 0 57 174.207 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(6-amino-3-pyridyl)-3,5-dimethyl-pyrazol-4-yl]propanoic 3-[1-(6-amino-3-pyridyl)-3,5-dim…

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 5.7 -48.68 2 6 -1 97 259.289 4 ↓

Parameters Provided:

ring.id = 28540
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 = 28540 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28540&filter.purchasability=annotated

Embed Link to Results