Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_1petg3369c1n25p3v99al5fnf1, 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%

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) 1.76 2.57 -40.31 1 7 -1 95 311.318 4
Hi High (pH 8-9.5) 1.58 2.89 -45.01 1 7 -1 95 311.318 5
Mid Mid (pH 6-8) 1.58 2.59 -12.6 2 7 0 93 312.326 5

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.76 2.74 -44.15 1 7 -1 95 311.318 4
Hi High (pH 8-9.5) 1.58 2.9 -50.98 1 7 -1 95 311.318 5
Mid Mid (pH 6-8) 1.58 2.72 -13.49 2 7 0 93 312.326 5

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.76 3.03 -35.45 1 7 -1 95 311.318 4
Hi High (pH 8-9.5) 1.58 3.01 -44.2 1 7 -1 95 311.318 5
Mid Mid (pH 6-8) 1.58 2.67 -12.99 2 7 0 93 312.326 5

Analogs

Draw Identity 99% 90% 80% 70%

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) 2.27 2.96 -39.76 1 7 -1 95 327.773 4
Hi High (pH 8-9.5) 2.09 3.28 -44.93 1 7 -1 95 327.773 5
Mid Mid (pH 6-8) 2.09 2.99 -12.08 2 7 0 93 328.781 5

Parameters Provided:

ring.id = 291181
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 = 291181 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

Embed Link to Results