Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_1u32ssm5uacck5cn9rj3t06kh4, 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-(2-amino-2-oxo-ethyl)pyrazol-4-yl]-1H-triazole-4-carboxamide N-[1-(2-amino-2-oxo-ethyl)pyrazo…

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) -1.98 -3.63 -21.57 4 9 0 132 235.207 4 ↓
Mid Mid (pH 6-8) -1.98 -3.65 -50.26 3 9 -1 130 234.199 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[2-(methylamino)-2-oxo-ethyl]pyrazol-4-yl]-1H-triazole-4-carboxamide N-[1-[2-(methylamino)-2-oxo-ethy…

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) -1.60 -2.14 -21.62 3 9 0 118 249.234 4 ↓
Hi High (pH 8-9.5) -1.60 -2.16 -50.42 2 9 -1 116 248.226 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)-1H-triazole-4-carboxamide N-(1-isopropyl-3,5-dimethyl-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) 0.47 1.93 -11.02 2 7 0 88 248.29 3 ↓
Hi High (pH 8-9.5) 0.47 1.91 -39.74 1 7 -1 87 247.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-tert-butylpyrazol-4-yl)-1H-triazole-4-carboxamide N-(1-tert-butylpyrazol-4-yl)-1H-…

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) 0.48 1.28 -10.45 2 7 0 88 234.263 3 ↓
Hi High (pH 8-9.5) 0.48 1.26 -38.92 1 7 -1 87 233.255 3 ↓

Parameters Provided:

ring.id = 540869
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 = 540869 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=540869&filter.purchasability=annotated

Embed Link to Results