Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_5jhfqnc8dlbf1q3djr604lac16, 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: 1-[(4-methoxyphenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-[(4-methoxyphenyl)methyl]-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) 2.05 8.17 -23.06 2 7 0 81 297.318 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(p-tolylmethyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-(p-tolylmethyl)-3-([1,2,4]tria…

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) 2.44 9.55 -21.84 2 6 0 71 281.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-[(3-fluorophenyl)methyl]-3-([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) 2.13 8.94 -22.68 2 6 0 71 285.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-methoxyphenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-[(3-methoxyphenyl)methyl]-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) 2.02 8.17 -23.21 2 7 0 81 297.318 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-[(4-fluorophenyl)methyl]-3-([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) 2.16 8.94 -22.39 2 6 0 71 285.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(p-tolylmethyl)urea 1-(5-methoxy-[1,2,4]triazolo[4,3…

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) 2.62 8.6 -20.9 2 7 0 81 311.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-fluorophenyl)methyl]-3-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)urea 1-[(3-fluorophenyl)methyl]-3-(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) 2.31 8 -21.61 2 7 0 81 315.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[(4-methoxyphenyl)methyl]urea 1-(5-chloro-[1,2,4]triazolo[4,3-…

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) 2.85 8.61 -19.74 2 7 0 81 331.763 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(p-tolylmethyl)urea 1-(5-chloro-[1,2,4]triazolo[4,3-…

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) 3.24 9.98 -18.55 2 6 0 71 315.764 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[(3-fluorophenyl)methyl]urea 1-(5-chloro-[1,2,4]triazolo[4,3-…

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) 2.93 9.37 -19.27 2 6 0 71 319.727 3 ↓
Hi High (pH 8-9.5) 2.56 7.73 -55.83 1 6 -1 78 318.719 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[(3-methoxyphenyl)methyl]urea 1-(5-chloro-[1,2,4]triazolo[4,3-…

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) 2.83 8.61 -19.97 2 7 0 81 331.763 4 ↓
Hi High (pH 8-9.5) 2.46 6.96 -58.58 1 7 -1 87 330.755 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[(4-fluorophenyl)methyl]urea 1-(5-chloro-[1,2,4]triazolo[4,3-…

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) 2.96 9.38 -18.97 2 6 0 71 319.727 3 ↓
Hi High (pH 8-9.5) 2.59 7.73 -54.07 1 6 -1 78 318.719 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(p-tolylmethyl)urea 1-(5-ethoxy-[1,2,4]triazolo[4,3-…

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) 3.00 9.53 -20.22 2 7 0 81 325.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[(3-methoxyphenyl)methyl]urea 1-(5-ethoxy-[1,2,4]triazolo[4,3-…

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) 2.58 8.15 -21.69 2 8 0 90 341.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[(4-fluorophenyl)methyl]urea 1-(5-ethoxy-[1,2,4]triazolo[4,3-…

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 8.92 -20.53 2 7 0 81 329.335 5 ↓

Parameters Provided:

ring.id = 386537
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 = 386537 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=386537&filter.purchasability=annotated

Embed Link to Results