Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_daup1u9qia57bjo4ivcjj12j53, 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

12032518
12032518

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-benzylidene-2-(1-naphthylimino)thiazolidin-4-one (2Z,5Z)-5-benzylidene-2-(1-napht…

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) 5.80 10.19 -9.3 1 3 0 45 330.412 2 ↓

Analogs

12032517
12032517

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-2-(1-naphthylimino)-5-(p-tolylmethylene)thiazolidin-4-one (2Z,5Z)-2-(1-naphthylimino)-5-(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) 6.25 10.85 -9.25 1 3 0 45 344.439 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-[(4-hydroxyphenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one (2Z,5Z)-5-[(4-hydroxyphenyl)meth…

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) 5.32 7.35 -10.73 2 4 0 65 346.411 2 ↓
Hi High (pH 8-9.5) 5.78 5.31 -52.44 1 4 -1 69 345.403 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-[(3,4-dihydroxyphenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one (2Z,5Z)-5-[(3,4-dihydroxyphenyl)…

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) 4.83 5.3 -12.39 3 5 0 86 362.41 2 ↓
Hi High (pH 8-9.5) 5.29 3.25 -54.88 2 5 -1 89 361.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-[(2-methoxyphenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one (2Z,5Z)-5-[(2-methoxyphenyl)meth…

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) 5.81 9.64 -10.16 1 4 0 54 360.438 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-[(4-methoxyphenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one (2Z,5Z)-5-[(4-methoxyphenyl)meth…

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) 5.86 9.5 -10.25 1 4 0 54 360.438 3 ↓

Analogs

12032554
12032554
35644721
35644721

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one (2Z,5Z)-5-[(3,4-dimethoxyphenyl)…

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) 5.45 9.41 -11.84 1 5 0 64 390.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 5.97 10.81 -11.82 1 5 0 72 388.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-[(3-bromophenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one (2Z,5Z)-5-[(3-bromophenyl)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) 6.59 10.81 -8.6 1 3 0 45 409.308 2 ↓
Hi High (pH 8-9.5) 7.04 8.84 -48.67 0 3 -1 48 408.3 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-[(4-bromophenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one (2Z,5Z)-5-[(4-bromophenyl)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) 6.61 10.81 -9 1 3 0 45 409.308 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-2-(1-naphthylimino)-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one (2Z,5Z)-2-(1-naphthylimino)-5-[(…

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) 5.43 9.42 -12.48 1 6 0 73 420.49 5 ↓

Analogs

35644721
35644721
12032534
12032534

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one (2Z,5Z)-5-[(4-hydroxy-3-methoxy-…

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) 5.14 7.36 -11.63 2 5 0 75 376.437 3 ↓
Hi High (pH 8-9.5) 5.60 5.31 -51.37 1 5 -1 78 375.429 3 ↓

Analogs

5376548
5376548

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one (2Z,5Z)-5-[(3-ethoxy-4-hydroxy-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) 5.52 8.28 -11.38 2 5 0 75 390.464 4 ↓
Hi High (pH 8-9.5) 5.97 6.24 -51.12 1 5 -1 78 389.456 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-[(4-ethoxyphenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one (2Z,5Z)-5-[(4-ethoxyphenyl)methy…

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) 6.23 10.43 -10.01 1 4 0 54 374.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl (2-bromo-6-methoxy-4-{[2-(1-naphthylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate ethyl (2-bromo-6-methoxy-4-{[2-(…

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) 6.62 0.04 -17.83 1 7 0 89 541.423 8 ↓

Parameters Provided:

ring.id = 81435
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 = 81435 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=81435&filter.purchasability=annotated

Embed Link to Results