Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_687v604h3gf7uoivefu9deq5m1, 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: (E)-2-cyano-N-[5-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]pentyl]-3-phenyl-prop-2-enamide (E)-2-cyano-N-[5-[[(E)-2-cyano-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) 3.72 9.93 -12.91 2 6 0 106 412.493 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-N-[5-[[(E)-2-cyano-3-(3-hydroxyphenyl)prop-2-enoyl]amino]pentyl]-3-(3-hydroxyphenyl)prop (E)-2-cyano-N-[5-[[(E)-2-cyano-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) 2.71 4.25 -18.58 4 8 0 146 444.491 10 ↓
Hi High (pH 8-9.5) 2.71 5.01 -59.8 3 8 -1 149 443.483 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-N-[5-[[(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino]pentyl]-3-(4-hydroxyphenyl)prop (E)-2-cyano-N-[5-[[(E)-2-cyano-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) 2.76 4.31 -16.53 4 8 0 146 444.491 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-chlorophenyl)-N-[5-[[(E)-3-(2-chlorophenyl)-2-cyano-prop-2-enoyl]amino]pentyl]-2-cyano-prop (E)-3-(2-chlorophenyl)-N-[5-[[(E…

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) 4.62 10.82 -11.25 2 6 0 106 481.383 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3-chlorophenyl)-N-[5-[[(E)-3-(3-chlorophenyl)-2-cyano-prop-2-enoyl]amino]pentyl]-2-cyano-prop (E)-3-(3-chlorophenyl)-N-[5-[[(E…

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) 5.03 10.95 -16.01 2 6 0 106 481.383 10 ↓

Analogs

26145153
26145153

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-N-[5-[[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]amino]pentyl]-3-(3-methoxyphenyl)prop (E)-2-cyano-N-[5-[[(E)-2-cyano-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) 3.79 8.53 -18.34 2 8 0 124 472.545 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-N-[5-[[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]pentyl]-3-(4-methoxyphenyl)prop (E)-2-cyano-N-[5-[[(E)-2-cyano-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) 3.83 8.59 -16.46 2 8 0 124 472.545 12 ↓

Analogs

43491143
43491143

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-N-[5-[[(E)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]amino]pentyl]-3-(3-hydroxy (E)-2-cyano-N-[5-[[(E)-2-cyano-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) 2.40 4.29 -22.78 4 10 0 165 504.543 12 ↓
Hi High (pH 8-9.5) 2.40 5.19 -66.23 3 10 -1 168 503.535 12 ↓

Analogs

5765978
5765978

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-3-[5-[[(E)-3-(4-carboxyphenyl)-2-cyano-prop-2-enoyl]amino]pentylamino]-2-cyano-3-oxo-prop-1-e 4-[(E)-3-[5-[[(E)-3-(4-carboxyph…

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) 3.54 11.09 -106.76 2 10 -2 186 498.495 12 ↓

Parameters Provided:

ring.id = 223364
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 = 223364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=223364&filter.purchasability=annotated

Embed Link to Results