Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_7b6a69cia49nenl1l4ogafhln4, 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

4890602
4890602

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione 3-(4-chlorophenyl)-1,4-diazaspir…

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) 4.59 6.26 -5.07 1 2 0 26 278.808 1 ↓

Analogs

4890619
4890619

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione 3-(4-fluorophenyl)-1,4-diazaspir…

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) 3.12 -3.74 -7.05 1 2 0 24 262.353 1 ↓

Analogs

4890656
4890656

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-fluorophenyl)-8-tert-butyl-1,4-diazaspiro[4.5]dec-1-ene-3-thione 2-(3-fluorophenyl)-8-tert-butyl-…

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) 4.20 -2.46 -6.24 1 2 0 24 318.461 2 ↓

Analogs

4890648
4890648

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-fluorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-1-ene-3-thione 2-(3-fluorophenyl)-8-methyl-1,4-…

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) 3.82 6.49 -6.02 1 2 0 26 276.38 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-[3-(3-fluorophenyl)-8-methyl-2-thioxo-1,4-diazaspiro[4.5]dec-3-en-1-yl]-methanone (4-fluorophenyl)-[3-(3-fluorophe…

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) 3.84 -0.27 -3.28 0 3 0 32 398.478 2 ↓

Analogs

4891636
4891636

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-(3-phenyl-8-tert-butyl-2-thioxo-1,4-diazaspiro[4.5]dec-3-en-1-yl)-methanone (4-fluorophenyl)-(3-phenyl-8-ter…

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 0.25 -3.96 0 3 0 32 422.569 3 ↓

Analogs

4891627
4891627
45932918
45932918

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-(2-phenyl-3-thioxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-methanone (4-fluorophenyl)-(2-phenyl-3-thi…

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) 3.93 -1.65 -7.44 0 3 0 32 366.461 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-[3-(3-fluorophenyl)-8-methyl-2-thioxo-1,4-diazaspiro[4.5]dec-3-en-1-yl]-methanone (4-chlorophenyl)-[3-(3-fluorophe…

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) 4.35 -1.16 -2.92 0 3 0 32 414.933 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione 3-(4-bromophenyl)-1,4-diazaspiro…

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) 4.72 6.36 -5.02 1 2 0 26 323.259 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-1-ene-3-thione 2-(4-bromophenyl)-8-methyl-1,4-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) 3.54 -4.88 -6.65 1 2 0 24 337.286 1 ↓

Analogs

4891105
4891105

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dichlorophenyl)-1,4-diazaspiro[4.5]dec-1-ene-3-thione 2-(3,4-dichlorophenyl)-1,4-diaza…

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) 4.24 -4.76 -7.97 1 2 0 24 313.253 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]dec-1-ene-3-thione 2-(3,4-dichlorophenyl)-8-methyl-…

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) 4.01 -4.4 -7.27 1 2 0 24 327.28 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.5]dec-1-ene-3-thione 2-(3,5-dimethoxyphenyl)-1,4-diaz…

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) 3.00 -4.46 -10.04 1 4 0 42 304.415 3 ↓

Parameters Provided:

ring.id = 249712
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 = 249712 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=249712&filter.purchasability=annotated

Embed Link to Results