Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_hbrj3d3oq55tnin85ptrpn8tj6, 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-(azetidin-3-yloxy)-4-methyl-pyrimidine 2-(azetidin-3-yloxy)-4-methyl-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) 0.24 -0.47 -40.92 2 4 1 52 166.204 2 ↓
Mid Mid (pH 6-8) 0.24 -2.17 -7.69 1 4 0 47 165.196 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azetidin-3-yloxy)pyrimidine hydrochloride 2-(azetidin-3-yloxy)pyrimidine h…

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) -0.20 -1.07 -40.9 2 4 1 52 152.177 2 ↓
Mid Mid (pH 6-8) -0.20 -2.77 -7.58 1 4 0 47 151.169 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azetidin-3-yloxy)-4-methoxy-pyrimidine 2-(azetidin-3-yloxy)-4-methoxy-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) 0.20 -2.5 -41.9 2 5 1 61 182.203 3 ↓
Mid Mid (pH 6-8) 0.20 -4.2 -6.5 1 5 0 56 181.195 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azetidin-3-yloxy)-5-nitro-pyrimidine 2-(azetidin-3-yloxy)-5-nitro-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) 0.13 -0.4 -45.45 2 7 1 97 197.174 3 ↓
Mid Mid (pH 6-8) 0.13 -2.1 -4.96 1 7 0 93 196.166 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azetidin-3-yloxy)-4,6-dimethyl-pyrimidine 2-(azetidin-3-yloxy)-4,6-dimethy…

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) 0.68 0.14 -40.68 2 4 1 52 180.231 2 ↓
Mid Mid (pH 6-8) 0.68 -1.56 -7.74 1 4 0 47 179.223 2 ↓

Parameters Provided:

ring.id = 277555
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 = 277555 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=277555&filter.purchasability=annotated

Embed Link to Results