Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_vim7o53j4e7efbssg085fe5i01, 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: N-isobutyl-N-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]acetamide N-isobutyl-N-[[2-(1-naphthyloxym…

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) 3.94 10.53 -9.76 0 4 0 42 368.502 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-methyl-N-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]propanamide N-isobutyl-2-methyl-N-[[2-(1-nap…

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) 5.02 11.4 -9.5 0 4 0 42 396.556 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-3-methyl-N-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]butanamide N-isobutyl-3-methyl-N-[[2-(1-nap…

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) 5.55 12.7 -15.74 0 4 0 42 410.583 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-N-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]propanamide N-isobutyl-N-[[2-(1-naphthyloxym…

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) 4.78 11.27 -16.84 0 4 0 42 382.529 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-methoxy-N-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]acetamide N-isobutyl-2-methoxy-N-[[2-(1-na…

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) 3.88 10.67 -12.04 0 5 0 52 398.528 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]acetamide N-(2-methoxyethyl)-N-[[2-(1-naph…

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) 2.80 8.75 -13.06 0 5 0 52 370.474 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-2-methyl-N-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]propanamide N-(2-methoxyethyl)-2-methyl-N-[[…

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) 3.88 9.64 -17.99 0 5 0 52 398.528 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-3-methyl-N-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]butanamide N-(2-methoxyethyl)-3-methyl-N-[[…

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) 4.41 10.89 -11.82 0 5 0 52 412.555 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]propanamide N-(2-methoxyethyl)-N-[[2-(1-naph…

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) 3.64 9.54 -12.75 0 5 0 52 384.501 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-(2-methoxyethyl)-N-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]acetamide 2-methoxy-N-(2-methoxyethyl)-N-[…

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) 2.74 8.86 -12.96 0 6 0 61 400.5 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-isobutyl-1-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]urea 3-tert-butyl-1-isobutyl-1-[[2-(1…

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) 5.96 11.55 -9.52 1 5 0 54 425.598 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-1-isobutyl-1-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]urea 3-ethyl-1-isobutyl-1-[[2-(1-naph…

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) 5.15 10.35 -18.29 1 5 0 54 397.544 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-3-isopropyl-1-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]urea 1-isobutyl-3-isopropyl-1-[[2-(1-…

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 11.52 -10.35 1 5 0 54 411.571 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-1-(2-methoxyethyl)-1-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]urea 3-tert-butyl-1-(2-methoxyethyl)-…

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 9.53 -12.78 1 6 0 64 427.57 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-1-(2-methoxyethyl)-1-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]urea 3-ethyl-1-(2-methoxyethyl)-1-[[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) 4.02 8.32 -13.99 1 6 0 64 399.516 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-1-(2-methoxyethyl)-1-[[2-(1-naphthyloxymethyl)thiazol-4-yl]methyl]urea 3-isopropyl-1-(2-methoxyethyl)-1…

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) 4.31 9.06 -19.06 1 6 0 64 413.543 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-2-(1-naphthyloxymethyl)thiazole 4-(chloromethyl)-2-(1-naphthylox…

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) 4.22 8.44 -8.85 0 2 0 22 289.787 4 ↓

Parameters Provided:

ring.id = 55762
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 = 55762 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=55762&filter.purchasability=annotated

Embed Link to Results